1MMP
| MATRILYSIN COMPLEXED WITH CARBOXYLATE INHIBITOR | Descriptor: | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID, CALCIUM ION, GELATINASE A, ... | Authors: | Browner, M.F, Smith, W.W, Castelhano, A.L. | Deposit date: | 1995-03-22 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Matrilysin-inhibitor complexes: common themes among metalloproteases. Biochemistry, 34, 1995
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1MMQ
| MATRILYSIN COMPLEXED WITH HYDROXAMATE INHIBITOR | Descriptor: | CALCIUM ION, MATRILYSIN, N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE, ... | Authors: | Browner, M.F, Smith, W.W, Castelhano, A.L. | Deposit date: | 1995-03-22 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Matrilysin-inhibitor complexes: common themes among metalloproteases. Biochemistry, 34, 1995
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1MMR
| MATRILYSIN COMPLEXED WITH SULFODIIMINE INHIBITOR | Descriptor: | 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-12(19),13(18),15,17-TETRAENE-10-CARBAMOYL)PENTA-METHYLSULFONEDIIMINE, CALCIUM ION, MATRILYSIN, ... | Authors: | Browner, M.F, Smith, W.W, Castelhano, A.L. | Deposit date: | 1995-03-22 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Matrilysin-inhibitor complexes: common themes among metalloproteases. Biochemistry, 34, 1995
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1LOX
| RABBIT RETICULOCYTE 15-LIPOXYGENASE | Descriptor: | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID, 15-LIPOXYGENASE, FE (II) ION | Authors: | Gillmor, S.A, Villasenor, A, Fletterick, R.J, Sigal, E, Browner, M.F. | Deposit date: | 1997-10-06 | Release date: | 1998-11-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of mammalian 15-lipoxygenase reveals similarity to the lipases and the determinants of substrate specificity. Nat.Struct.Biol., 4, 1997
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966C
| CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID | Descriptor: | CALCIUM ION, MMP-1, N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE, ... | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | Deposit date: | 1998-08-07 | Release date: | 1999-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat.Struct.Biol., 6, 1999
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830C
| COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | Descriptor: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | Deposit date: | 1998-08-06 | Release date: | 1999-08-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat.Struct.Biol., 6, 1999
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456C
| CRYSTAL STRUCTURE OF COLLAGENASE-3 (MMP-13) COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID | Descriptor: | 2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE, CALCIUM ION, MMP-13, ... | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | Deposit date: | 1998-08-06 | Release date: | 1999-08-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat.Struct.Biol., 6, 1999
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2OIB
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2OID
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2OIC
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2GFS
| P38 Kinase Crystal Structure in complex with RO3201195 | Descriptor: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | Authors: | Harris, S.F, Bertrand, J, Villasenor, A. | Deposit date: | 2006-03-23 | Release date: | 2006-04-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase J.Med.Chem., 49, 2006
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2GIR
| Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-1 inhibitor | Descriptor: | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA-directed RNA polymerase | Authors: | Harris, S.F. | Deposit date: | 2006-03-29 | Release date: | 2007-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus. J.Virol., 80, 2006
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2GIQ
| Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-2 inhibitor | Descriptor: | 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE, RNA-directed RNA polymerase | Authors: | Harris, S.F. | Deposit date: | 2006-03-29 | Release date: | 2007-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus. J.Virol., 80, 2006
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4HVH
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4HVD
| JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide | Descriptor: | 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 | Authors: | Kuglstatter, A, Shao, A. | Deposit date: | 2012-11-06 | Release date: | 2013-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models. J.Med.Chem., 56, 2013
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4HVI
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4HVG
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3PIZ
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3PJ3
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3PJ1
| Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | Descriptor: | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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3SHI
| Crystal structure of human MMP1 catalytic domain at 2.2 A resolution | Descriptor: | CALCIUM ION, Interstitial collagenase, ZINC ION | Authors: | Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J. | Deposit date: | 2011-06-16 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The catalytic domain of MMP-1 studied through tagged lanthanides. Febs Lett., 586, 2012
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3PIY
| Crystal structure of BTK kinase domain complexed with R406 | Descriptor: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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3PIX
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3PJ2
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3NPC
| Crystal structure of JNK2 complexed with BIRB796 | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 9 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2010-06-28 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: Insights into the rational design of DFG-out binding MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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