The 1.8-Å Crystal Structure of a Matrix Metalloproteinase 8-Barbiturate Inhibitor Complex Reveals a Previously Unobserved Mechanism for Collagenase Substrate Recognition

Name: Work Video:
Duration: 3 min 30 s
Hans Brandstetter; Frank Grams; Dagmar Glitz; A. Lang; Robert Huber; Wolfram Bode; Hans‐Willi Krell; Richard A. Engh
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2817, 2823, 2843, 2848, 2854, 2866, 2891, 2909, 2914, 2920, 2927, 2931, 3015, 3021, 3035, 3053, 3063, 3069, 3084, 3142, 3154, 3165, 3198, 3208, 3215, 3232, 3248, 3256, 3261, 3264, 3276, 3301, 3305, 3308, 3312, 3322, 3333, 3337, 3343, 3367, 3378, 3407, 3420, 3482, 3503, 3508, 3525, 3540, 3548, 3575, 3583, 3609, 3620, 3627, 3632, 3640, 3653, 3656, 3661, 3690, 3780, 3785, 3804, 3811, 3820, 3850, 3854, 3865, 3879, 3883, 3890, 3896, 3901, 3906, 3911, 3918, 3927, 3943, 3948, 3960, 3969, 3973, 3988, 3994, 4016, 4036, 4040, 4044, 4047, 4052, 4065, 4069, 4092, 4096, 4107, 4140, 4143, 4206, 4261, 4278, 4288], 'tissue': [6, 311, 670, 885, 1401], 'degrading': [7, 312], 'matrix': [8, 313, 610, 619, 664, 2781], 'metalloproteinase': [9, 314, 611], '(MMP)': [10, 315], 'family': [11, 316], 'share': [12, 317], 'a': [13, 127, 131, 154, 240, 253, 260, 273, 279, 297, 318, 432, 436, 459, 545, 558, 565, 578, 584, 602, 712, 729, 758, 959, 1194, 1217, 1405, 1421, 1453, 1724, 1736, 1750, 1797, 1940, 1978, 1993, 2054, 2101, 2112, 2188, 2314, 2377, 2467, 2716, 2744, 2830, 2902, 2905, 3018, 3057, 3119, 3174, 3183, 3221, 3273, 3282, 3349, 3386, 3413, 3430, 3459, 3486, 3515, 3522, 3552, 3600, 3984, 4013, 4058, 4073, 4283], 'common': [14, 319], 'catalytic': [15, 320, 717, 762, 773, 992, 1091, 2737, 3776, 3855, 3866, 3970], 'architecture': [16, 321], 'but': [17, 322, 692, 3251, 3381, 4075], 'are': [18, 323, 693, 1084, 1961, 2624, 2666, 3317, 3569, 3612, 3687, 3816, 4273], 'differentiated': [19, 324], 'with': [20, 99, 158, 325, 404, 463, 1197, 1210, 1223, 1452, 1977, 1989, 2003, 2043, 2068, 2184, 2214, 2322, 2383, 2573, 2674, 2919, 3075, 3189, 3197, 3201, 3285, 3362, 3406, 3409, 3412, 3463, 3502, 3694, 3819, 3846, 3942, 3993, 4051, 4129], 'respect': [21, 326], 'to': [22, 119, 134, 213, 327, 424, 439, 518, 660, 771, 783, 1735, 1805, 1963, 2037, 2118, 2313, 2445, 2522, 2540, 2561, 2762, 2842, 2888, 2890, 3034, 3062, 3067, 3271, 3292, 3300, 3358, 3425, 3555, 3574, 3788, 3917, 3956, 3982, 4012, 4021, 4033, 4135, 4212, 4282, 4302], 'substrate': [23, 113, 122, 135, 328, 418, 427, 440, 1767, 1801, 1914, 1979, 2008, 2018, 2410, 2663, 2692, 2831], 'specificity,': [24, 329], 'localization,': [25, 330], 'and': [26, 32, 51, 107, 114, 203, 219, 230, 248, 303, 331, 337, 356, 412, 419, 508, 524, 535, 553, 608, 669, 698, 705, 708, 714, 719, 736, 745, 748, 906, 909, 994, 1076, 1199, 1259, 1289, 1414, 1418, 1420, 1581, 1660, 1738, 1809, 1812, 1816, 1839, 1849, 1860, 1879, 1901, 2016, 2040, 2084, 2121, 2162, 2171, 2202, 2266, 2301, 2328, 2355, 2385, 2398, 2408, 2441, 2515, 2638, 2646, 2652, 2656, 2695, 2706, 2722, 2726, 2731, 2766, 2847, 2858, 3128, 3192, 3203, 3206, 3229, 3255, 3296, 3314, 3320, 3324, 3346, 3402, 3411, 3565, 3582, 3625, 3642, 3677, 3823, 3839, 3868, 3889, 3920, 4002, 4062, 4088, 4104, 4180, 4203, 4215, 4231, 4239, 4266, 4271, 4277, 4294], 'activation.': [27, 332], 'Variation': [28, 333], 'in': [29, 97, 117, 267, 334, 402, 422, 572, 695, 760, 1220, 1436, 1800, 2164, 2390, 2484, 2593, 2617, 2669, 2682, 2789, 2908, 3118, 3173, 3195, 3290, 3332, 3366, 3496, 3507, 3514, 3529, 3539, 3652, 3689, 3803, 4009, 4035, 4112, 4159, 4225, 4275, 4298], 'domain': [30, 335, 731, 738, 769, 786, 990], 'structure': [31, 91, 336, 396, 1719, 2284, 2352, 3059, 3188, 3692, 4056, 4094], 'more': [33, 338, 3915], 'subtle': [34, 339], 'structural': [35, 110, 340, 415, 1375, 1747], 'differences': [36, 64, 341, 369, 3686], 'control': [37, 342, 813], 'their': [38, 82, 343, 387, 1252, 2424], 'characteristic': [39, 344], 'specificity': [40, 345, 1379], 'profiles': [41, 346], 'for': [42, 68, 81, 112, 211, 262, 282, 299, 347, 373, 386, 417, 516, 567, 587, 604, 2053, 2298, 2454, 2741, 2894, 3557, 3964, 4169, 4177, 4290], 'substrates': [43, 348], 'from': [44, 349, 1094, 1205, 1853, 1919, 2333, 2604, 3056, 3237, 3493, 3536, 3617, 3796, 3895, 4019], 'among': [45, 350], 'four': [46, 351], 'distinct': [47, 352], 'classes': [48, 353], '(Nagase,': [49, 354], 'H.,': [50, 200, 355, 505], 'Woessner,': [52, 357], 'J.': [53, 55, 193, 207, 358, 360, 498, 512, 676, 818, 898, 918, 1007, 1145, 1242, 1271, 1305, 1318, 1357, 1488, 1511, 1537, 1597, 1702, 1866, 2140, 2251, 2957, 2980, 3716, 3739, 3765, 4192], 'F.': [54, 359, 638, 971, 1163, 1472, 1554, 1588, 1678, 1699, 1891, 2941, 3003, 3700], '(1999)J.': [56, 361], 'Biol.': [57, 362, 677, 792, 819, 900, 919, 1067, 1123, 1272, 1306, 1358, 1389, 1599], 'Chem.': [58, 363, 678, 820, 920, 1273, 1307, 1359, 1574, 1704, 4194], '274,': [59, 364], '21491–21494).': [60, 365], 'Exploitation': [61, 366], 'these': [63, 368, 764, 1001, 1446, 1905, 3396], 'may': [65, 370, 2427, 2507, 3278], 'be': [66, 78, 371, 383, 1776, 2428, 2475, 2508, 3218, 3272, 3279, 3650, 4163], 'decisive': [67, 372], 'design': [70, 375], 'anticancer': [72, 377], 'or': [73, 378, 1154, 1207, 4243], 'other': [74, 379, 699, 724, 1208, 1924, 2937, 3897], 'drugs,': [75, 380], 'which': [76, 381, 2787, 3520, 4085], 'should': [77, 382], 'highly': [79, 384, 1739, 2723, 3184], 'selective': [80, 385], 'particular': [83, 388], 'MMP': [84, 389, 741, 804, 860, 998, 1400, 1756, 3106], 'targets.': [85, 390], 'Based': [86, 391, 1955], 'on': [87, 278, 392, 583, 807, 1956, 1967, 2111], '1.8-Å': [89, 394, 1717, 2119, 2448], 'crystal': [90, 237, 395, 542, 1448, 1718, 1741, 2179, 4005, 4093], 'human': [93, 398], 'neutrophil': [94, 399], 'collagenase': [95, 400, 1003, 1077, 4310], '(MMP-8)': [96, 401], 'complex': [98, 403, 2065, 3806], 'an': [100, 405, 720, 766, 778, 1433, 2048, 2151, 2459, 2488, 2574, 2618, 3024, 3467, 3594, 4150, 4222], 'active': [101, 140, 406, 445, 1212, 2932, 3036, 4045], 'site-directed': [102, 407], 'inhibitor': [103, 115, 178, 186, 225, 408, 420, 483, 491, 530, 1732, 1991, 2374, 2506, 2687, 3016, 3032, 3421, 3876, 3891, 4053], '(RO200-1770),': [104, 409], 'we': [105, 410, 1714, 3027], 'identify': [106, 272, 411, 577], 'describe': [108, 413, 1715], 'new': [109, 414, 1737, 3120, 3175], 'determinants': [111, 416, 1754], 'recognition': [116, 123, 136, 263, 302, 421, 428, 441, 568, 607, 1802, 2664, 2693], 'addition': [118, 423, 2005, 3291], 'primary': [121, 426], 'sites.': [124, 429, 2412], 'RO200-1770': [125, 179, 430, 484, 2052, 2375, 2679, 3031, 3805, 4118, 4146], 'induces': [126, 431, 3017], 'major': [128, 433], 'rearrangement': [129, 434], 'at': [130, 149, 289, 435, 454, 594, 757, 1098, 1226, 1785, 1936, 1972, 1992, 2013, 2022, 2097, 2584, 2689, 2696, 2748, 2926, 3020, 3023, 3348, 3485, 3619, 3631, 3968], 'position': [132, 291, 437, 596, 1789, 2923, 3662, 3787, 3799], 'relevant': [133, 438], 'near': [137, 442, 732], 'MMP-8': [139, 444, 1721, 1817, 2034, 2056, 2438, 2662, 2938, 3039, 3598, 3697, 4055], 'site': [141, 446, 2440, 2933, 3037], '(Ala206–Asn218).': [142, 447], 'In': [143, 448, 2586, 2810, 3298, 4039], 'stromelysin': [144, 449, 4126, 4303], '(MMP-3),': [145, 450], 'competing': [146, 451], 'stabilizing': [147, 452], 'interactions': [148, 182, 453, 487, 2828, 3303, 3309, 3607], 'analogous': [151, 456], 'segment': [152, 457], 'hinder': [153, 458], 'similar': [155, 460, 4032], 'rearrangement,': [156, 461], 'consistent': [157, 462], 'kinetic': [159, 464], 'profiling': [160, 465], 'several': [162, 467, 953, 3939, 4099], 'MMPs.': [163, 468, 1442], 'Despite': [164, 469], 'apparent': [166, 471, 3688], 'dissimilarity': [167, 472], 'inhibitors,': [170, 475], 'central': [172, 477], '2-hydroxypyrimidine-4,6-dione': [173, 478], '(barbiturate)': [174, 479], 'ring': [175, 221, 480, 526, 2394, 2415, 2457, 2513, 2536, 2546, 2558, 2571, 2602, 3345, 3372, 3611], 'mimics': [180, 485], 'hydroxamate-derived': [185, 490], 'batimastat': [187, 492], '(Grams,': [188, 493], 'F.,': [189, 494], 'Reinemer,': [190, 495], 'P.,': [191, 496], 'Powers,': [192, 497], 'C.,': [194, 499], 'Kleine,': [195, 500], 'T.,': [196, 501], 'Pieper,': [197, 502], 'M.,': [198, 503], 'Tschesche,': [199, 504], 'Huber,': [201, 506], 'R.,': [202, 507], 'Bode,': [204, 509], 'W.': [205, 510, 636, 648, 965, 1133, 1175, 1326, 1486, 1499, 1533, 1676, 1697, 2228, 2955, 2968, 3001, 3714, 3727, 3761], '(1995)Eur.': [206, 511], 'Biochem.': [208, 513, 1241, 1489, 1538, 2958, 3440, 3717, 3766], '228,': [209, 514], '830–841)': [210, 515], 'binding': [212, 517, 716, 1733, 2411, 2439, 2676, 2688, 2761, 2869, 2892, 3180, 3360, 3908, 3944, 4133, 4160, 4300, 4312], 'MMP-8.': [214, 519], 'two': [216, 521, 1087, 1099, 2402, 2462, 2895, 3549, 3902, 4081, 4209], 'additional': [217, 522], 'phenyl': [218, 523, 2384, 2434, 2535, 2557, 2639, 2655, 3313, 3344, 3371, 3422], 'piperidyl': [220, 525, 2648, 2657, 3315], 'substituents': [222, 527, 2404], 'bind': [226, 531], 'into': [227, 532, 2405], 'S1′': [229, 534, 2407, 3323, 3334, 3368, 3379, 3483, 3509, 3530, 3556, 3603, 3641], 'S2′': [231, 536, 2409, 3325, 3624, 3643], 'pockets': [232, 537], 'MMP-8,': [234, 539, 1462, 3410, 4228, 4291], 'respectively.': [235, 540, 2733, 3327, 3589, 4218], 'lattice': [238, 543], 'contains': [239, 544], 'hydrogen': [241, 546, 2840, 3404, 3461, 3487, 3572], 'bond': [242, 295, 547, 600, 1773, 1788, 2323, 2473, 2532, 2590, 3462, 3976], 'between': [243, 548, 2631, 2643, 2653, 3524, 3987], 'Oγgroup': [245, 550], 'Ser209': [247, 552], 'Nδ1': [249, 554], 'His207': [251, 556, 3840, 3963], 'symmetry': [254, 559], 'related': [255, 560, 2465], 'molecule;': [256, 561], 'this': [257, 290, 293, 562, 595, 598, 1378, 1794, 3664, 3847, 3934, 3953, 4184], 'interaction': [258, 563, 2862, 3331, 3434, 3986], 'suggests': [259, 564], 'model': [261, 566, 2267, 3065], 'hydroxyprolines': [265, 570], 'present': [266, 571], 'physiological': [268, 573], 'substrates.': [269, 574], 'We': [270, 575], 'also': [271, 576, 3361, 3817], 'collagenase-characteristic': [274, 579], 'cis-peptide': [275, 294, 580, 599, 1772, 1787, 1795], 'bond,': [276, 581], 'Asn188–Tyr189,': [277, 582], 'loop': [280, 585, 759, 3912, 3935, 3954, 4018], 'essential': [281, 586], 'collagenolytic': [283, 588], 'activity.': [284, 589], 'sequence': [286, 591, 1204, 1784], 'conservation': [287, 592, 1780], 'pattern': [288, 593], 'marks': [292, 597], 'as': [296, 601, 1156, 1191, 1764, 1766, 1883, 2182, 2388, 2627, 2680, 2904, 2934, 3220, 3281, 3287, 3827, 3878, 4080], 'determinant': [298, 603], 'triple-helical': [300, 605], 'collagen': [301, 606], 'processing.': [304, 609], 'tumor': [612], 'necrosis': [613], 'factor': [614], 'α': [615], 'converting': [616], 'enzyme': [617, 1985], 'metalloproteinases': [620, 888], '(MMPs),1': [621], 'one': [622], 'five': [625], 'families': [626], 'that': [627, 1793, 3797], 'form': [628, 765, 1188, 2771, 3231, 4004], 'metzincin': [630], 'group': [631, 2176, 2493, 3455, 3562, 3658, 3668, 3992], 'proteinases': [634], '(3Stöcker': [635], 'Grams': [637, 970, 1162, 1677, 1698, 1890, 3002], 'Baumann': [639], 'U.': [640, 846, 871], 'Reinemer': [641, 1134, 1473, 1500, 2942, 2969, 3701, 3728], 'P.': [642, 1009, 1135, 1161, 1474, 1501, 1523, 2798, 2943, 2970, 3702, 3729, 3751], 'Gomis-Rüth': [643, 1534, 3762], 'F.X.': [644, 1535, 3763], 'McKay': [645], 'D.B.': [646], 'Bode': [647, 1174, 1325, 1485, 1532, 1675, 1696, 2954, 3000, 3713, 3760], 'Protein': [649, 1650, 1679, 3004], 'Sci.': [650, 845, 870, 979, 1651, 1680, 3005, 3441], '1995;': [651, 849, 1029, 1490, 1615, 2959, 3718], '4:': [652], '823-840Crossref': [653], 'PubMed': [654, 687, 796, 829, 852, 877, 929, 945, 983, 1037, 1071, 1127, 1149, 1181, 1246, 1282, 1314, 1336, 1368, 1393, 1493, 1515, 1542, 1603, 1618, 1655, 1684, 1708, 2962, 2984, 3009, 3448, 3721, 3743, 3770], 'Scopus': [655, 688, 797, 830, 853, 878, 930, 946, 984, 1038, 1072, 1128, 1150, 1182, 1247, 1283, 1337, 1369, 1394, 1494, 1516, 1543, 1604, 1619, 1656, 1685, 1709, 2146, 2259, 2346, 2963, 2985, 3010, 3449, 3722, 3744, 3771, 4198], '(633)': [656], 'Google': [657, 690, 799, 832, 855, 880, 904, 932, 948, 986, 1040, 1074, 1130, 1152, 1184, 1249, 1285, 1315, 1339, 1371, 1396, 1496, 1518, 1545, 1606, 1621, 1658, 1687, 1711, 2148, 2225, 2244, 2261, 2348, 2965, 2987, 3012, 3451, 3724, 3746, 3773, 4200], 'Scholar),': [658, 856, 881, 905, 987, 1372, 1579, 1622, 1659, 2149], 'function': [659, 1403], 'degrade': [661, 1292], 'extracellular': [663], 'during': [665], 'embryonic': [666], 'development,': [667], 'reproduction,': [668], 'remodeling': [671, 1402], '(1Nagase': [672, 814], 'H.': [673, 815, 864, 866, 894, 969, 973, 1062, 1143, 1173, 1240, 1301, 1324, 1352, 1482, 1509, 1531, 1665, 1693, 1832, 1840, 2951, 2978, 2990, 3710, 3737, 3759], 'Woessner': [674, 816], 'J.F.J.': [675, 817], '1999;': [679, 821, 980, 1068, 1576, 1600], '274:': [680, 822], '21491-21494Abstract': [681, 823], 'Full': [682, 684, 824, 826, 924, 926, 940, 942, 1032, 1034, 1277, 1279, 1311, 1363, 1365, 3445], 'Text': [683, 685, 825, 827, 925, 927, 941, 943, 1033, 1035, 1278, 1280, 1312, 1364, 1366, 3446], 'PDF': [686, 828, 928, 944, 1036, 1281, 1313, 1367, 3447], '(3860)': [689, 831], 'Scholar)': [691, 1075, 1153, 1286, 2245, 2312], 'disregulated': [694], 'arthritis,': [696], 'cancer,': [697], 'diseases.': [700], '"minimal"': [702], 'MMPs': [703, 726, 776, 954, 1451, 3592], 'matrilysin': [704], 'endometase': [706], '(MMP-7': [707], 'MMP-26,': [709], 'respectively),': [710], 'have': [711, 955, 1458, 2612], 'Zn2+': [713, 2698, 2763, 2910, 3143, 3155, 3166, 3179, 3199, 3777, 3812, 3867, 3907], 'Ca2+': [715], 'domain,': [718, 1092], 'N-terminal': [721, 1158, 1203], 'pro-domain.': [722], 'All': [723, 1932], 'known': [725], 'possess': [727, 750, 777], 'additionally': [728], 'hemopexin-like': [730, 785], 'C': [734], 'terminus,': [735], 'further': [737], 'insertions': [739], 'differentiate': [740], 'subfamilies.': [742], 'Gelatinases': [743], 'A': [744, 1769, 2296], 'B': [746], '(MMP-2': [747], 'MMP-9)': [749], 'three': [751, 2622, 3389, 3526, 3781], 'fibronectin': [752], 'type': [753], 'II-like': [754], 'repeats': [755], 'inserted': [756], 'domain;': [763], 'independent': [767], 'folding': [768], 'adjacent': [770, 2756, 3541], 'domain.': [774], 'Membrane-type': [775], 'anchoring': [779], 'transmembrane': [780], 'helix': [781, 3929], 'C-terminal': [782], '(4Murphy': [787, 1384], 'G.': [788, 1268, 1270, 1356, 1385, 1823], 'Knäuper': [789, 1386], 'V.': [790, 1228, 1262, 1342, 1387, 1548], 'Matrix': [791, 1388], '1997;': [793, 901, 921, 937, 1360, 1390, 1539, 3442, 3767], '15:': [794, 1391, 2242], '511-518Crossref': [795, 1392], '(260)': [798, 1395], 'Scholar).': [800, 949, 1185, 1250, 1397, 1712, 1911, 2262, 2282, 2349, 2372, 2809, 3013, 3452, 3774, 4201], 'Hierarchical': [801], 'regulation': [802, 999], 'activity': [805, 1221], 'occurs': [806], 'many': [808, 995], 'levels,': [809], 'including': [810, 1409], 'gene': [811], 'expression': [812], 'Scholar,': [833, 933, 1041, 1131, 1316, 1340, 1497, 1519, 1546, 1607, 1688, 2226, 2234, 2966, 2988, 3725, 3747], '5Westmays': [834], 'J.A.': [835, 1055], 'Strissel': [836], 'K.J.': [837], 'Sadow': [838], 'P.M.': [839], 'Fini': [840], 'M.E.': [841], 'Proc.': [842, 867], 'Natl.': [843, 868], 'Acad.': [844, 869], 'S.': [847, 872, 1047, 1141, 1169, 1297, 1344, 1507, 1592, 2792, 2976, 3735], 'A.': [848, 873, 1238, 1560, 1889, 2255, 2342, 2672, 2796], '92:': [850], '6768-6772Crossref': [851], '(92)': [854], 'proteolytic': [857, 911], 'activation': [858, 1095, 1224], 'zymogens': [861], '(6van': [862], 'Wart': [863, 1061, 1303], 'Birkedal-Hansen': [865, 1300], '1990;': [874], '87:': [875], '5578-5582Crossref': [876], '(1197)': [879], 'inhibition': [882, 4226, 4236, 4251, 4279], 'by': [883, 1086, 1723, 1821, 1864, 2094, 2288, 2419, 2430, 2466, 2510, 2703, 2754, 2778, 2853, 2936, 3082, 3311, 3375, 3385, 3518, 3571, 3614, 3626, 3672, 3682, 3800, 3859, 3875, 3922, 3938, 3959, 3979, 4149, 4165], 'endogenous': [884], 'inhibitors': [886, 1440, 1457, 1874, 3107], '(7Gomez': [889], 'D.E.': [890], 'Alonso': [891], 'D.F.': [892, 1558], 'Yoshiji': [893], 'Thorgeirsson': [895], 'U.P.': [896], 'Eur.': [897, 1487, 1536, 2956, 3715, 3764], 'Cell': [899], '74:': [902], '111-122PubMed': [903], 'both': [907, 1759], 'positive': [908], 'negative': [910, 2746], 'feedback': [912], 'loops': [913], '(8Patterson': [914], 'B.C.': [915, 1625, 2133], 'Sang': [916], 'Q.X.A.': [917], '272:': [922, 1361], '28823-28825Abstract': [923], '(386)': [931], '9Werb': [934], 'Z.': [935], 'Cell.': [936, 976], '91:': [938], '439-442Abstract': [939], '(1131)': [947], 'Crystal': [950], 'structures': [951, 1449, 2939, 3698, 3783], 'been': [956, 1459, 2286], 'determined': [957, 2181, 2213, 3696], '(for': [958], 'review,': [960], 'see,': [961], 'e.g.,': [962], 'Ref.': [963], '10Bode': [964], 'Fernandez-Catalan': [966], 'C.': [967, 1049, 1051, 1264, 1348, 1568], 'Tschesche': [968, 1142, 1172, 1239, 1323, 1481, 1508, 1530, 1841, 2950, 2977, 3709, 3736, 3758], 'Nagase': [972, 1833], 'Maskos': [974], 'K.': [975, 1328], 'Mol.': [977, 1598], 'Life': [978], '55:': [981], '639-652Crossref': [982], '(298)': [985], 'revealing': [988], 'overall': [989, 3848], 'structures,': [991], 'mechanisms,': [993], 'aspects': [996], 'mechanisms;': [1000], 'include': [1002, 1465], '1': [1004, 4127], '(MMP-1)': [1005, 4311], '(11Li': [1006], 'Brick': [1008], "O'Hare": [1010], 'M.C.': [1011, 3436], 'Skarzynski': [1012], 'T.': [1013, 1106, 1139, 1167, 1478, 1505, 2947, 2974, 3706, 3733], 'Lloyd': [1014], 'L.F.': [1015], 'Curry': [1016], 'V.A.': [1017], 'Clark': [1018], 'I.M.': [1019], 'Bigg': [1020], 'H.F.': [1021], 'Hazleman': [1022], 'B.L.': [1023, 1596], 'Cawston': [1024], 'T.E.': [1025], 'Blow': [1026, 2237], 'D.M.': [1027, 2238], 'Structure.': [1028], '3:': [1030], '541-549Abstract': [1031], '(239)': [1039], '12Lovejoy': [1042], 'B.': [1043, 1120, 1266, 1346], 'Welch': [1044], 'A.R.': [1045], 'Carr': [1046], 'Luong': [1048], 'Broka': [1050], 'Hendricks': [1052], 'R.T.': [1053], 'Campbell': [1054], 'Walker': [1056], 'K.A.M.': [1057], 'Martin': [1058], 'R.': [1059, 1137, 1165, 1320, 1484, 1503, 1674, 2219, 2338, 2953, 2972, 2999, 3712, 3731], 'Van': [1060, 1302], 'Browner': [1063], 'M.F.': [1064, 1609], 'Nat.': [1065, 1121], 'Struct.': [1066, 1122], '6:': [1069], '217-221Crossref': [1070], '(255)': [1073], '2': [1078, 2069, 2765], '(MMP-8).': [1079], 'Structures': [1080], 'latter': [1083, 1187, 2861, 3636, 4262], 'represented': [1085], 'forms': [1088, 1193, 3260, 3403, 3458, 3521], 'resulting': [1093, 1428], 'cleavage': [1096, 1100, 1225], 'alternately': [1097], 'sites,': [1101], 'leaving': [1102, 4028], 'either': [1103, 2477], 'Met80': [1104], '(13Stams': [1105], 'Spurlino': [1107], 'J.C.': [1108, 1476, 2945, 3704], 'Smith': [1109, 1265, 1345, 1610, 2795], 'D.L.': [1110], 'Wahl': [1111], 'R.C.': [1112], 'Ho': [1113], 'T.F.': [1114], 'Qoronfleh': [1115], 'M.W.': [1116], 'Banks': [1117], 'T.M.': [1118], 'Rubin': [1119, 1561], '1994;': [1124, 1146, 1178, 1512, 2256, 2981, 3740], '1:': [1125], '119-123Crossref': [1126], '(201)': [1129], '14Bode': [1132, 1498, 2967, 3726], 'Huber': [1136, 1164, 1483, 1502, 1673, 2337, 2952, 2971, 2998, 3711, 3730], 'Kleine': [1138, 1166, 1477, 1504, 2946, 2973, 3705, 3732], 'Schnierer': [1140, 1168, 1506, 2975, 3734], 'EMBO': [1144, 1510, 2979, 3738], '13:': [1147, 1513, 2982, 3741], '1263-1269Crossref': [1148, 1514, 2983, 3742], '(323)': [1151, 1517, 2986, 3745], 'Phe79': [1155, 1192], 'residue': [1159, 3637], '(15Reinemer': [1160], 'Piper': [1170], 'M.': [1171, 1322, 1350, 1480, 1521, 1529, 2949, 3438, 3708, 3749, 3757], 'FEBS': [1176, 1331], 'Lett.': [1177, 1332], '338:': [1179], '227-233Crossref': [1180], '(136)': [1183], 'is': [1189, 1216, 1380, 2376, 2442, 2537, 2582, 2641, 2650, 2659, 2739, 2752, 2775, 2839, 2851, 2863, 2876, 3048, 3336, 3398, 3478, 3498, 3513, 3669, 3678, 3857, 3872, 3914, 3936, 3977, 4025, 4057, 4305], '"superactivated,"': [1190], 'salt': [1195], 'bridge': [1196], 'Asp232': [1198], 'thereby': [1200, 2758, 2838], 'prevents': [1201], 'transient': [1206], 'interference': [1209], 'site.': [1213, 3369, 3604, 3971], 'result': [1215], '3-fold': [1218, 2044], 'increase': [1219, 4224], 'compared': [1222, 2356, 3693, 4050], 'Met80(16Knäuper': [1227], 'Wilhelm': [1229], 'S.M.': [1230], 'Seperack': [1231], 'P.K.': [1232], 'DeClerck': [1233], 'Y.A.': [1234], 'Langley': [1235], 'K.E.': [1236], 'Osthues': [1237], '1993;': [1243], '295:': [1244], '581-586Crossref': [1245], '(154)': [1248], 'As': [1251, 1443], 'early': [1253], 'nomenclature': [1254], 'implies,': [1255], 'collagenases': [1256, 1807], 'I,': [1257], '-II,': [1258], '-III': [1260], '(17Knäuper': [1261], 'Lopezotin': [1263, 1347], 'Knight': [1267], 'Murphy': [1269, 1355, 1824], '1996;': [1274, 1333], '271:': [1275], '1544-1550Abstract': [1276], '(782)': [1284], '(MMP-1,': [1287], '-8,': [1288], '-13,': [1290], 'respectively)': [1291], 'mainly': [1293], 'fibrillar': [1294], 'collagens': [1295], '(18Netzel-Arnett': [1296], 'Fields': [1298], 'G.B.': [1299], 'H.E.': [1304], '1991;': [1308, 2343], '266:': [1309], '6747-6755Abstract': [1310], '19Ottl': [1317], 'Battistuta': [1319], 'Pieper': [1321, 1479, 1528, 2948, 3707, 3756], 'Kuhn': [1327], 'Moroder': [1329, 1671, 1700, 2996], 'L.': [1330, 1354, 1672, 1701, 2997], '398:': [1334], '31-36Crossref': [1335], '(82)': [1338], '20Knäuper': [1341], 'Cowell': [1343], 'Oshea': [1349], 'Morris': [1351], 'Zardi': [1353], '7608-7616Abstract': [1362], '(294)': [1370], 'although': [1373, 2423, 2873, 3660], 'origin': [1376], 'not': [1381, 3110, 3114, 3374], 'well': [1382, 1765, 3670], 'understood': [1383], 'Disruption': [1398], 'causes': [1404], 'variety': [1406, 1422, 1454], 'disorders,': [1408], 'cancer': [1410], '(tumor': [1411], 'growth,': [1412], 'invasion': [1413], 'metastasis),': [1415], 'rheumatoid': [1416], 'arthritis': [1417], 'osteoarthritis,': [1419], 'diseases': [1424], 'involving': [1425], 'neovascularization.': [1426], 'clinical': [1429], 'need': [1430], 'has': [1431, 2285, 2715, 3599], 'fostered': [1432], 'enormous': [1434], 'interest': [1435], 'development': [1438], 'against': [1441, 2100, 4106, 4260], 'part': [1444], 'efforts,': [1447], 'synthetic': [1456], 'determined.': [1460, 3115], 'For': [1461, 4219], 'complexes': [1463], 'reported': [1464], 'peptide': [1466, 3975], 'mimetics,': [1467], 'hydroxamic': [1468], 'acid': [1469, 1662, 1726, 2379], 'derivatives': [1470, 1663], '(2Grams': [1471, 2940, 3699], 'Powers': [1475, 2944, 3703], '228:': [1491, 2960, 3719], '830-841Crossref': [1492, 2961, 3720], '(178)': [1495, 2964, 3723], '21Betz': [1520, 3748], 'Huxley': [1522, 3750], 'Davies': [1524, 3752], 'S.J.': [1525, 3753], 'Mushtaq': [1526, 3754], 'Y.': [1527, 3755], '247:': [1540, 3768], '356-363Crossref': [1541, 3769], '(88)': [1544, 3772], '22Dhanaraj': [1547], 'Williams': [1549], 'M.G.': [1550, 2236], 'Ye': [1551], 'Q.Z.': [1552], 'Molina': [1553], 'Johnson': [1555], 'L.L.': [1556], 'Ortwine': [1557], 'Pavlovsky': [1559], 'J.R.': [1562], 'Skeean': [1563], 'R.W.': [1564], 'White': [1565], 'A.D.': [1566], 'Hubmlet': [1567], 'Hupe': [1569], 'D.J.': [1570], 'Blundell': [1571], 'T.L.': [1572, 2135], 'Croat.': [1573], 'Acta.': [1575], '72:': [1577], '575-591Google': [1578], 'phosphinamides': [1580], 'sulfodiimines': [1582], '(23Chen': [1583], 'L.Y.': [1584], 'Tydel': [1585], 'T.J.': [1586, 1645], 'Gu': [1587], 'Dunaway': [1589], 'C.M.': [1590, 1635], 'Pikul': [1591], 'Dunham': [1593], 'K.M.': [1594], 'Barnett': [1595], '293:': [1601], '545-557Crossref': [1602], '(71)': [1605], '24Browner': [1608], 'W.W.': [1611], 'Castelhano': [1612], 'A.L.': [1613], 'Biochemistry.': [1614], '34:': [1616], '6602-6610Crossref': [1617], '(250)': [1620], 'thiadiazole': [1623], '(25Finzel': [1624], 'Baldwin': [1626], 'E.T.': [1627], 'Bryant': [1628], 'G.L.': [1629, 1641, 2131], 'Hess': [1630], 'G.F.': [1631], 'Wilks': [1632], 'J.W.': [1633], 'Trepod': [1634], 'Mott': [1636], 'J.E.': [1637], 'Marshall': [1638], 'V.P.': [1639], 'Petzold': [1640], 'Poorman': [1642], 'R.A.': [1643, 1667, 1695, 2336, 2992], 'Osullivan': [1644], 'Schostarez': [1646], 'H.J.': [1647], 'Mitchell': [1648], 'M.A.': [1649], '1998;': [1652, 1681, 1705, 3006, 4195], '7:': [1653, 1682, 3007], '2118-2126Crossref': [1654], '(74)': [1657], 'malonic': [1661], '(26Brandstetter': [1664], 'Engh': [1666, 1694, 2991], 'von': [1668, 2993], 'Roedern': [1669, 1690, 2994], 'E.G.': [1670, 2995], '1303-1309Crossref': [1683, 3008], '(47)': [1686, 3011], '27von': [1689], 'E.': [1691, 1887], 'Brandstetter': [1692], 'Med.': [1703], '41:': [1706], '3041-3047Crossref': [1707], '(13)': [1710], 'Here': [1713], 'inhibited': [1722], 'barbituric': [1725, 2378], 'derivative.': [1727], 'Conformational': [1728], 'rearrangements': [1729], 'accompanying': [1730], 'lead': [1734, 4011, 4116, 4144], 'ordered': [1740, 3390, 3646], 'packing': [1742], 'arrangement.': [1743], 'high': [1745], 'resolution': [1746, 2120, 2167], 'data': [1748, 1960, 2125, 2161], 'enables': [1749], 'thorough': [1751], 'analysis': [1752], 'selectivity': [1757, 4258], 'toward': [1758, 2495, 4227], 'low': [1760], 'molecular': [1761, 2351], 'weight': [1762], 'substances': [1763], 'classes.': [1768], 'previously': [1770, 1885, 3695], 'unreported': [1771], '(Asn188—Tyr189)': [1774], 'could': [1775], 'unambiguously': [1777], 'identified.': [1778], 'patterns': [1781], 'support': [1790, 4183], 'hypothesis': [1792, 4185], 'plays': [1796], 'critical': [1798], 'role': [1799, 2903], 'mechanisms': [1803], 'specific': [1804], 'I': [1808], 'II': [1810], '(MMP-1': [1811], 'MMP-8).': [1813], 'MMP-1,': [1814, 4253], 'MMP-3,': [1815], 'were': [1818, 1851, 1862, 1881, 1926, 1934, 1970, 2109, 4102], 'kindly': [1819], 'provided': [1820, 1863], 'Profs.': [1822], '(University': [1825, 1842], 'East': [1827], 'Anglia,': [1828], 'Norwich,': [1829], 'United': [1830, 1837], 'Kingdom),': [1831, 1838], '(Imperial': [1834], 'College,': [1835], 'London,': [1836], 'Bielefeld,': [1844, 1845], 'Germany),': [1846], 'respectively;': [1847], 'MMP-2': [1848], 'MMP-9': [1850], 'obtained': [1852], 'Roche': [1854], 'Molecular': [1855], 'Biochemicals': [1856], '(Penzberg,': [1857], 'Germany);': [1858, 1922], 'MT1-MMP': [1859, 4238], 'MT3-MMP': [1861], 'Prof.': [1865], 'Foidart': [1867], '(Université': [1868], 'de': [1869], 'Liège,': [1870, 1871], 'Belgium).': [1872], 'RO200-1770,': [1875], 'RO204-1924,': [1876], 'I-COL043,': [1877], 'RO206-0027,': [1878], 'RO206-0032': [1880, 4276], 'synthesized': [1882, 4103], 'described': [1884, 2509, 3219, 3280], '(28Bosies': [1886], 'Esswein': [1888], 'Krell': [1892], 'H.W.': [1893], 'New': [1894, 2309], 'Barbituric': [1895], 'Acid': [1896], 'Derivative,': [1897], 'Processes': [1898], 'Forware': [1899], 'Production,': [1900], 'Pharmaceutical': [1902], 'Agents': [1903], 'Containing': [1904], 'Compounds.': [1906], 'Boehringer': [1907], 'Mannheim,': [1908], 'Indianapolis,': [1909], 'IN1996Google': [1910], 'fluorogenic': [1913], 'M-1855': [1915], '(Dnp-Pro-Leu-Gly-Leu-Trp-Ala-d-Arg-NH2)': [1916], 'was': [1917, 1986, 2001, 2011, 2020, 2035, 2066, 2092, 2180, 2212, 2353, 3060, 3080, 4147, 4233, 4241], 'purchased': [1918], 'Bachem': [1920], '(Heidelberg,': [1921], 'all': [1923, 1959, 2160, 2607, 2621], 'chemicals': [1925], 'highest': [1928], 'purity': [1929], 'commercially': [1930], 'available.': [1931], 'measurements': [1933, 2155], 'performed': [1935], '25': [1937], '°C': [1938], 'using': [1939, 2025, 2123, 2246, 2270, 2289, 2357, 3083], 'buffering': [1941], 'solution': [1942, 2050, 2072, 2790], '50': [1944], 'mm': [1945, 1950, 1953, 2079, 2082], 'Tris,': [1946], 'pH': [1947, 2076], '7.6,': [1948], '100': [1949, 2074, 2081], 'NaCl,': [1951, 2083], '10': [1952, 2078], 'CaCl2.': [1954], 'multiple': [1957], 'measurements,': [1958], 'precise': [1962], 'within': [1964, 2207, 2360, 2446, 3252, 3789], '5%.': [1965], 'Depending': [1966], 'activity,': [1968], 'enzymes': [1969], 'used': [1971], '5–50': [1973], 'nm': [1974, 2015, 2024], 'concentration': [1975, 1980, 1996, 2057], 'range': [1976], '2.55': [1982], 'μm.': [1983], 'briefly': [1987], 'pre-incubated': [1988], 'resultant': [1994], 'Me2SO': [1995], '1%.': [1998], 'reaction': [2000], 'started': [2002], 'M-1855.': [2009], 'Substrate': [2010], 'excited': [2012], '280': [2014], 'fluorescence': [2019], 'monitored': [2021], '346': [2023], 'FuoroMax-3': [2027], 'fluorometer': [2028], '(SPEX,': [2029], 'Horiba': [2030], 'Group,': [2031], 'Grasbrunn/Munich,': [2032], 'Germany).': [2033], 'concentrated': [2036], '8': [2038], 'mg/ml': [2039], 'then': [2041], 'mixed': [2042, 2067], 'molar': [2045], 'excess': [2046], 'aqueous': [2049], 'final': [2055], '6': [2059], 'mg/ml.': [2060], '3': [2061, 2671, 2684, 2820, 2833], 'μl': [2062, 2070], 'protein-inhibitor': [2064], 'precipitant': [2071], 'containing': [2073, 2103], 'mmcacodylate': [2075], '5.5–6.5,': [2077], 'CaCl2,': [2080], '10%': [2085], 'polyethylene': [2086], 'glycol': [2087], '6000.': [2088], 'hanging': [2090], 'drop': [2091], 'equilibrated': [2093], 'vapor': [2095], 'diffusion': [2096], 'room': [2098], 'temperature': [2099], 'reservoir': [2102], '1.0–1.5': [2104], 'm': [2105], 'phosphate': [2106], 'buffer.': [2107], 'Data': [2108], 'collected': [2110], 'multiwire': [2113], 'detector': [2114], '(X1000,': [2115], 'Bruker': [2116], 'AXS)': [2117], 'processed': [2122], 'SAINT': [2124], 'reduction': [2126], 'software': [2127], '(29Howard': [2128], 'A.J.': [2129], 'Gilliland': [2130], 'Finzel': [2132], 'Poulos': [2134], 'Ohlendorf': [2136], 'D.H.': [2137], 'Salemme': [2138], 'F.R.': [2139], 'Appl.': [2141], 'Crystallogr.': [2142, 2221, 2230, 2240, 2253, 2340], '1987;': [2143], '20:': [2144], '383-387Crossref': [2145], '(571)': [2147], 'yielding': [2150], 'agreement': [2152], 'redundant': [2154], 'ofRmerge': [2156], '=': [2157, 2189, 2193, 2197, 2320], '9.3%': [2158], 'over': [2159, 2782, 3052], '41%': [2163], 'outer': [2166], 'shell': [2168], '(completeness': [2169], '98%': [2170], '87%,': [2172], 'respectively).': [2173], 'space': [2175, 3383], 'I222': [2183], 'unit': [2185, 2210], 'cell': [2186, 2211], 'dimensions': [2187], '61.02': [2190], 'Å,': [2191, 2195, 3254, 3831, 3836, 3842], 'b': [2192], '69.24': [2194], 'c': [2196], '88.47': [2198], 'Å.': [2199, 3861], 'orientation': [2201, 2572], 'translation': [2203, 4014], 'molecule': [2206, 3506, 3648], 'crystallographic': [2209, 2315], 'Patterson': [2215], 'search': [2216], 'techniques': [2217], '(30Huber': [2218], 'Acta': [2220, 2229, 2239, 2252, 2339], '1965;': [2222], '19:': [2223], '353-356Crossref': [2224], '31Hoppe': [2227], '1957;': [2231], '10:': [2232], '750-751Google': [2233], '32Rossmann': [2235], '1962;': [2241], '24-31Crossref': [2243], 'program': [2248, 2272, 2291, 2362, 3085], 'AMoRe': [2249], '(33Navaza': [2250], 'Sect.': [2254, 2341], '50:': [2257], '157-163Crossref': [2258], '(5027)': [2260], 'Electron': [2263], 'density': [2264, 2452, 3046, 3674, 4071], 'calculation': [2265], 'building': [2268], 'proceeded': [2269], 'MAIN': [2273, 2363, 3086], '(34Turk': [2274, 2364, 3087], 'D.': [2275, 2365, 3088], 'Chemistry.': [2276, 2366, 3089], 'Technische': [2277, 2367, 3090], 'Universität': [2278, 2368, 3091], 'München,': [2279, 2369, 3092], 'Munich,': [2280, 2370, 3093], 'Germany1992Google': [2281, 2371, 3094], 'refined': [2287], 'X-PLOR': [2292], '(35Brunger': [2293], 'A.T.': [2294], 'X-PLOR:': [2295], 'System': [2297], 'X-ray': [2299], 'Crystallography': [2300], 'NMR': [2302], ',': [2303], 'Version': [2304], '3.1.': [2305], 'Yale': [2306], 'Univeristy': [2307], 'Press,': [2308], 'Haven,': [2310], 'CT1992Google': [2311], 'R-value': [2316], '21.1%': [2318], '(Rfree': [2319], '29.6%)': [2321], 'deviations': [2324, 2330], '0.009': [2326], 'Å': [2327, 2721, 3353, 3492, 3535, 3802, 4060], 'angle': [2329, 2567, 2630, 3470], '1.7°': [2332], 'ideality': [2334], '(36Engh': [2335], '47:': [2344], '392-400Crossref': [2345], '(2539)': [2347], 'analyzed': [2354], 'appropriate': [2358], 'tools': [2359], 'derivative,': [2380], 'doubly': [2381], 'substituted': [2382, 4148], '4-ethanolpiperidyl': [2386], 'rings': [2387, 2503, 2521, 2623, 2640, 2649, 2658, 3316], 'depicted': [2389, 2681], 'Fig.1.': [2391], 'barbiturate': [2393, 2528, 2545, 2563, 2637, 2645, 2710, 2774, 2818, 3076, 3306, 3989], 'chelates': [2395], 'rigidly': [2399], 'orients': [2400, 2552], 'cyclic': [2403], 'Neither': [2413], 'substituent': [2414, 2520], 'system': [2416], 'appears': [2417], 'strained': [2418], 'protein': [2421, 2431, 2780, 3064, 3691, 3813, 3870, 3924], 'environment,': [2422], 'relative': [2425, 2499], 'orientations': [2426, 2500], 'induced': [2429, 3874, 3967], 'binding.': [2432, 3077, 4171], 'moiety': [2435], 'occupies': [2436, 3784], 'perfectly': [2443], 'planar': [2444, 3340], 'resolution.': [2449], 'electron': [2451, 3045, 3673, 4070], 'observed': [2453], 'piperidine': [2456, 3610, 4141], 'allows': [2458], 'interpretation': [2460], 'whereby': [2461], 'chair': [2463], 'conformations': [2464], '180°': [2468], 'rotation': [2469], 'along': [2470, 4015], 'C5-pN1': [2472], 'might': [2474, 4162], 'superimposed;': [2476], 'conformation': [2478, 3932], 'would': [2479, 2917, 3546], 'allow': [2480], 'favorable': [2481, 2717], 'hydrophobic': [2482, 3319, 3606], 'contacts': [2483, 3925], 'S2′-site.': [2486], 'Adopting': [2487], 'all-trans': [2489], 'conformation,': [2490], 'alcohol': [2492], 'points': [2494], 'solvent.': [2497], 'considering': [2511, 3269], 'planes': [2514], 'bonds': [2517, 3405, 3573], 'linking': [2518, 2533], 'C5': [2524], 'atom': [2525, 3424], 'ring.': [2529, 2711], 'C5–fC1': [2531], 'nearly': [2538, 2592], 'perpendicular': [2539, 2560], 'plane': [2542, 2554, 2595, 3196, 3250], '(excluding': [2547], 'C5).': [2548], 'This': [2549, 2615, 2860, 3862], 'arrangement': [2550, 2619], 'necessarily': [2551], 'likewise': [2559], 'plane.': [2564], 'dihedral': [2566, 3129, 4030], 'C6–C5–fC1–fC2': [2568], 'fixes': [2569], 'eclipsed': [2575], 'geometry': [2576, 2899, 3181, 3277, 3888], '(at': [2577], '1.2°,': [2578], 'while': [2579, 4235, 4308], 'C4–C5–C1–fC2dihedral': [2581], 'staggered': [2583, 2613], '60.8°).': [2585], 'contrast,': [2587], 'C5–pN1': [2589], 'lies': [2591, 3245], 'barbiturate,': [2598], 'extending': [2599], 'P2′-piperidyl': [2601], 'away': [2603], 'barbiturate;': [2606], 'dihedrals': [2608], 'across': [2609], 'C5—pN1bond': [2611], 'orientations.': [2614], 'results': [2616, 4207], 'where': [2620, 2735, 3225], 'mutually': [2625], 'perpendicular,': [2626], 'follows:': [2628, 3828], '(the': [2632], 'normal': [2633], 'vectors)': [2634], '91°,': [2642], '103°,': [2651], '111°.': [2660], 'sites': [2665, 2694], 'shown': [2667, 4111], 'schematically': [2668], 'Fig.': [2670, 2683], 'Comparison': [2673], 'mode': [2677], 'Bhighlights': [2685], '"primed"': [2691], 'ion.': [2699], 'Zn2+is': [2701], 'coordinated': [2702], 'atoms': [2704, 2815, 3563], 'N3': [2705], 'O2': [2707, 2751], 'Zn2+—N3': [2713], 'coordination': [2714, 3124, 3216], 'distance': [2718, 3350, 3489], '2.09': [2720], 'symmetric': [2724, 4076], 'Zn2+-N3-C2': [2725], 'Zn2+-N3-C4': [2727], 'angles': [2728, 4031], '119°': [2730], '117°,': [2732], 'Positioned': [2734], 'water': [2738, 3391, 3415, 3475, 3527, 3538, 3647], 'expected': [2740], 'peptidic': [2742], 'substrates,': [2743], 'partial': [2745, 3903], 'charge': [2747], 'hydroxyl': [2750, 3657], 'stabilized': [2753, 2852, 3596], 'Glu198,': [2757], 'strengthening': [2759], 'its': [2760, 3072, 3363, 3869, 4130, 4248, 4299], '(Figs.': [2764], '3,': [2767], 'TableII).': [2768], 'enol': [2770], 'thus': [2776, 3679], 'favored': [2777], 'tautomeric': [2784], 'keto': [2785, 3991], 'form,': [2786], 'dominates': [2788], '(37Budavari': [2791], 'ONeil': [2793], 'M.J.': [2794], 'Heckelman': [2797], 'E': [2799], 'Merck': [2801, 2804], 'Index.11th': [2802], 'Ed.': [2803], '%': [2805], 'Co.,': [2806], 'Inc.,': [2807], 'Rahway,NJ1989Google': [2808], 'addition,': [2811], 'polar': [2813, 3302], 'H1-N1-C6=O6': [2814], '(Fig.': [2819, 2832, 3675], 'B)': [2821], 'mimic': [2822], 'P1′-S1′': [2824, 4214], 'antiparallel': [2825], 'main': [2826, 3628], 'chain': [2827, 3365, 3629, 3852, 4078], 'A).': [2834], 'amide': [2836], 'N1-H1': [2837], 'bonded': [2841], 'carbonyl': [2844, 2921, 3073, 3454, 3576], 'Ala161,': [2846], 'ketone': [2849, 2885, 2916], 'C6=O6': [2850], 'amides': [2855], 'Leu160': [2857], 'Ala161.': [2859], 'reminiscent': [2864], 'oxyanion': [2867], 'hole': [2868], 'serine': [2871], 'proteinases,': [2872], 'here': [2874], 'there': [2875], 'no': [2877], 'evidence': [2878], 'oxygen': [2880, 2922, 3074, 3577], 'anion': [2881], 'stabilization.': [2882], 'C4=O4': [2884, 2915, 3990], 'seems': [2886], 'unlikely': [2887], 'contribute': [2889], 'energy': [2893, 3025], 'reasons.': [2896], 'First,': [2897, 3947], 'unfavorable': [2898, 3468], '(TableI)': [2900], 'precludes': [2901], 'third': [2906, 3504], 'ligand': [2907, 3258, 3289, 3359, 3814, 3962], 'chelation.': [2911], 'More': [2912], 'importantly,': [2913], 'collide': [2918], 'Pro217': [2925, 3995], '"southern"': [2928, 3621], 'rim': [2929, 3622, 4042], 'defined': [2935, 3671], '26Brandstetter': [2989], 'Instead,': [3014], 'reorientation': [3019], 'Pro217position': [3022], 'cost': [3026], 'discuss': [3028], 'below.Figure': [3029], '2The': [3030], 'bound': [3033], '(yellow).': [3040], '2Fo': [3042], '−': [3043], 'Fc': [3044], 'map': [3047], 'contoured': [3049], '1.0': [3050], 'ς': [3051], 'mean.': [3054], 'Pro217(red)': [3055], 'reference': [3058, 3782, 4037], 'superimposed': [3061], '(yellow)': [3066], 'illustrate': [3068], 'conflict': [3070], 'figure': [3079], 'prepared': [3081], 'Scholar).View': [3095], 'Large': [3096], 'Image': [3097], 'Figure': [3098], 'ViewerDownload': [3099], 'Hi-res': [3100], 'image': [3101], 'Download': [3102], '(PPT)Table': [3103], 'IIProfiling': [3104], '(IC50': [3108], '[nm])InhibitorMMP-8MMP-2MMP-9MT1-MMPMMP-1MMP-3TACERO200-1770170028702000670513030000ND2-aND,': [3109], 'determined.RO204-1924319039403160205025,00030000NDRO206-002725021041083027003400NDI-COL': [3111], '04326034481135022,0003500>27,000RO206-0032482021621014,0002700>22,0002-a': [3112], 'ND,': [3113], 'Open': [3116, 3171], 'table': [3117, 3172], 'tab': [3121, 3176], 'Table': [3122, 3240, 3266, 4113], 'IZn2+': [3123], 'geometry:': [3125], 'bonds,': [3126], 'angles,': [3127], 'anglesZn2+–N3Bar2.09': [3130], 'ÅZn2+–O2Bar2.93': [3131], 'ÅZn2+–O4Bar3.15': [3132], 'ÅZn2+Nɛ21972.03': [3133], 'ÅZn2+Nɛ22011.95': [3134], 'ÅZn2+Nɛ22072.00': [3135], 'ÅZn2+O2Bar': [3136], 'C2Bar78.2°Zn2+O4Bar': [3137], 'C4Bar70.4°Trigonal': [3138], 'bipyramidal': [3139, 3187], 'description': [3140, 3152, 3163], 'coordinationZn2+': [3144], 'Nɛ2197': [3145], 'Nɛ2207O2Bar−4.8°O2BarZn2+': [3146], 'Nɛ2197101.5°Nɛ2197': [3147], 'Zn2+Nɛ2207119.7°Nɛ2207Zn2+': [3148], 'O2Bar137.8°Nɛ2201': [3149], 'Zn2+N3Bar125.6°Square': [3150], 'pyramidal': [3151, 3162], 'coordinationNɛ2207O2Bar': [3156], 'N3BarNɛ220115.2°Nɛ2197Zn2+': [3157], 'Nɛ2207119.7°Nɛ2197': [3158], 'Zn2+N3Bar95.5°Nɛ2197Zn2+': [3159], 'O2Bar101.5°Nɛ2197': [3160], 'Zn2+Nɛ2201100.3°Pentagonal': [3161], 'coordinationNɛ2207': [3167], 'O2BarO4Bar': [3168], 'Nɛ220120.0°Nɛ2197': [3169], 'Zn2+O4Bar88.0°': [3170], 'pentacoordinated': [3178], 'resembles': [3182], 'distorted': [3185, 3222], 'trigonal': [3186], 'O2,': [3190, 3226, 3293], 'Nε2(His197),': [3191], 'Nε2(His207)': [3193, 3230], 'approximately': [3194], 'ion,': [3200], 'Nε2(His201)': [3202], 'N3lying': [3204], 'above': [3205], 'below': [3207], 'basal': [3209, 3233, 3249, 3288], 'plane,': [3210], 'respectively': [3211], '(Table': [3212], 'I).': [3213, 3241], 'Alternatively,': [3214], 'can': [3217, 3649], 'square': [3223], 'pyramid': [3224, 3265, 3284], 'N3,': [3227, 3294], 'Nε2(His201),': [3228, 3295], 'ligands': [3234, 3871], '(dihedral': [3235], 'deviation': [3236], 'planarity': [3238], '15°,': [3239], 'metal': [3243], 'ion': [3244, 3778], 'outside': [3246], '0.5': [3253], 'fifth': [3257], 'Nε2(His197)': [3259], 'apex': [3262], 'I.': [3267], '(If': [3268], 'O4': [3270, 3286], 'sixth': [3274], 'ligand,': [3275], 'pentagonal': [3283], 'Nε2(His207)).': [3297], 'contrast': [3299], 'ring,': [3307], 'mediated': [3310, 3613], 'predominantly': [3318], 'involve': [3321], 'pockets,': [3326], 'most': [3329, 3591, 4029], 'prominent': [3330], 'pocket': [3335, 3484], 'ideally': [3338], 'parallel': [3339], 'stacking': [3341], 'His197': [3347, 3829], '3.6': [3352], '(Fig.4).': [3354], 'conserved': [3356], 'Leu160contributes': [3357], 'side': [3364, 3851, 4067, 4077], 'does': [3373], 'itself': [3376], 'fill': [3377], 'site,': [3380, 4046], 'leaves': [3382], 'filled': [3384], 'network': [3387, 3528], 'molecules.': [3392], 'first': [3394, 4284], '(Sol595)': [3397], 'probably': [3399], 'incompletely': [3400], 'occupied': [3401], 'inhibitor,': [3408, 4221], 'second': [3414, 3474], 'molecule.': [3416], 'proximity': [3418], 'fC4': [3423], 'Sol595': [3426, 3464], '(3.1': [3427], 'Å)': [3428, 3501, 3581], 'indicates': [3429], 'O': [3431], '…': [3432], 'H-C': [3433], '(38Wahl': [3435], 'Sundaralingam': [3437], 'Trends': [3439], '22:': [3443], '97-102Abstract': [3444], '(326)': [3450], 'Leu193': [3457], '2.9-Å': [3460], 'with,': [3465], 'however,': [3466, 3794, 4024], 'C=O193-O595': [3469], '113°.': [3472], 'molecule,': [3476], 'Sol602,': [3477], 'positioned': [3479], 'deeper': [3480], 'inside': [3481], 'bonding': [3488], '2.7': [3491], 'Sol595.': [3494], 'Sol602': [3495], 'turn': [3497], 'hydrogen-bonded': [3499], '(2.8': [3500], 'solvent': [3505, 3558, 3665, 3919], 'pocket,': [3510], 'Sol592.': [3511], 'Sol592': [3512], 'channel': [3516], 'bounded': [3517], 'Arg222,': [3519], 'link': [3523], 'and,': [3531], 'via': [3532], 'Sol667': [3533], '(2.9': [3534], 'Sol602),': [3537], 'cavity.': [3542], 'Mutation': [3543], 'Arg222': [3545, 3568], 'connect': [3547], 'cavities,': [3550], 'opening': [3551], '"back': [3553], 'door"': [3554], 'access.': [3559], 'guanidinium': [3561], 'Nη2': [3564], 'Nη1': [3566], 'fixed': [3570], 'Ala213': [3579], '(3.3': [3580, 3587], 'Oη': [3584], 'Tyr227': [3586], 'Å),': [3588, 3833, 3838], 'Since': [3590], 'lack': [3593], 'equivalently': [3595], 'Arg,': [3597], 'comparatively': [3601], 'restricted': [3602], 'aliphatic': [3615], 'surfaces': [3616], 'Pro217-Asn218-Tyr219': [3618], 'Gly158-Ile159-Leu160': [3630], '"northern"': [3633], 'rim.': [3634], '(Leu160)': [3638], 'separates': [3639], 'pockets.': [3644], 'No': [3645], 'detected': [3651], 'vicinity': [3654], 'pOH9,': [3659], 'exposed': [3666, 3916], 'ethanol': [3667], '2)': [3676], 'presumably': [3680], 'hydrated': [3681], 'disordered': [3683], 'water.': [3684], 'Significant': [3685], 'same': [3786], '0.2': [3790, 3860], 'Å;': [3791], 'it': [3792], 'is,': [3793], 'shifted': [3795], 'average': [3798], '0.6': [3801], 'structure.': [3807], 'Corresponding': [3808], 'shifts': [3809], 'positions': [3815], 'apparent,': [3818], 'respective': [3821], 'Nε2': [3822], 'Cγ': [3824], 'values': [3825, 4175, 4280], 'measured': [3826], '(0.4': [3830], '0.3': [3832, 3837], 'His201': [3834], '(0.3': [3835], '(0.6': [3841], '0.7': [3843], 'Å).': [3844], 'Consistent': [3845], 'shift,': [3849], 'Glu198': [3856], 'translated': [3858], 'displacement': [3863, 4061], 'evidently': [3873, 3981], 'binding,': [3877, 4217], 'net': [3880], 'effect': [3881], 'optimization': [3884], 'barbiturate-Zn': [3886], 'chelation': [3887], 'orienting': [3892], 'forces': [3893], 'arising': [3894], 'inhibitor-protein': [3898], 'interactions.': [3899], 'Of': [3900], 'sequences': [3904], 'harboring': [3905], 'histidine': [3909], 'residues,': [3910], 'Ala206-His207-Asn218': [3913], 'anchored': [3921], 'fewer': [3923], 'than': [3926, 4315], 'internal': [3928], 'L191–H197EXXH201–L203.': [3930], 'altered': [3937], 'effects': [3940, 4008, 4289], 'associated': [3941], 'RO200-1770.': [3946, 4136], 'greater': [3949, 3957], 'inherent': [3950], 'plasticity': [3951], 'leads': [3955], 'compensation': [3958], 'Zn': [3961], 'shear': [3965], 'stresses': [3966], 'Second,': [3972], 'Pro217–Asn218': [3974], 'rotated': [3978], '∼100°,': [3980], 'prevent': [3983], 'repulsive': [3985], 'carbonyl.': [3996], 'Third,': [3997], 'residues': [3998], 'Ser209,': [3999], 'Tyr216,': [4000], 'Pro217,': [4001, 4022], 'Asn218': [4003], 'contacts.': [4006], 'These': [4007], 'combination': [4010], 'entire': [4017], 'Ala206': [4020], 'which,': [4023], 'relatively': [4026, 4245], 'rigid,': [4027], 'those': [4034], 'structures.': [4038], '"north"': [4041], 'largest': [4048], 'change': [4049], 'free': [4054], '0.98': [4059], 'disorder': [4063], 'Ile159': [4066], 'chain;': [4068], 'shows': [4072, 4119], 'branched': [4074], 'interpretable': [4079], 'equally': [4082], 'populated': [4083], 'rotamers,': [4084], '"swap"': [4086], 'Cγ1': [4087], 'Cγ2': [4089], 'positions.': [4090], 'Utilizing': [4091], 'MMP8-RO200-1770': [4097], 'complex,': [4098], 'follow-up': [4100], 'compounds': [4101], 'tested': [4105], 'panel': [4108], 'metalloenzymes': [4110], 'II.': [4114], 'compound': [4117, 4145], 'broadly': [4120], 'nonspecific': [4121], 'micromolar': [4122], 'inhibition,': [4123], 'excepting': [4124], 'only': [4125], '(MMP-3)': [4128, 4304], '∼10-fold': [4131, 4223], 'weaker': [4132, 4250], 'affinity': [4134, 4161, 4301], 'To': [4137], 'facilitate': [4138], 'synthesis,': [4139], 'essentially': [4151], 'isosteric': [4152], 'piperazine,': [4153], 'RO204-1924.': [4154], 'almost': [4156], 'uniform': [4157], 'decrease': [4158], 'rationalized': [4164], 'higher': [4166], 'desolvation': [4167], 'penalties': [4168], 'piperazine': [4170], 'theoretical': [4173], 'clogP': [4174], 'calculated': [4176], '1,4-dimethylpiperidine': [4178], '(1.9)': [4179], '1,4-dimethylpiperazine': [4181], '(0.8)': [4182], '(39Ghose': [4186], 'A.K.': [4187], 'Viswanadhan': [4188], 'V.N.': [4189], 'Wendoloski': [4190], 'J.J.': [4191], 'Phys.': [4193], '102:': [4196], '3762-3772Crossref': [4197], '(629)': [4199], 'I-COL043': [4202, 4254, 4270], 'RO206-0027': [4204, 4272], 'represent': [4205], 'orthogonal': [4210], 'approaches': [4211], 'optimize': [4213], 'P2′-S2′': [4216], 'each': [4220], '-2,': [4229, 4292], '-9,': [4230, 4293], '-3': [4232], 'accomplished,': [4234], 'MMP-1': [4240], 'weakened': [4242], 'remained': [4244], 'unchanged.': [4246], 'With': [4247], '4-fold': [4249], 'showed': [4255], 'significantly': [4256], 'enhanced': [4257], 'potential': [4259], 'enzyme.': [4263], 'P1′': [4265], 'P2′': [4267], 'optimizations': [4268], 'combined': [4274], 'demonstrate,': [4281], 'approximation,': [4285], 'additivity': [4286], 'MT1-MMP.': [4295], 'improvement': [4297], 'less': [4306], 'distinct,': [4307], 'fibroblast': [4309], 'averages': [4313], 'rather': [4314]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2130243725', 'counts_by_year': [{'year': 2024, 'cited_by_count': 2}, {'year': 2023, 'cited_by_count': 2}, {'year': 2022, 'cited_by_count': 1}, {'year': 2021, 'cited_by_count': 5}, {'year': 2020, 'cited_by_count': 5}, {'year': 2019, 'cited_by_count': 4}, {'year': 2018, 'cited_by_count': 5}, {'year': 2017, 'cited_by_count': 2}, {'year': 2016, 'cited_by_count': 3}, {'year': 2015, 'cited_by_count': 4}, {'year': 2014, 'cited_by_count': 3}, {'year': 2013, 'cited_by_count': 5}, {'year': 2012, 'cited_by_count': 10}], 'updated_date': '2025-01-04T14:10:21.831851', 'created_date': '2016-06-24'}
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