6DLP
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![BU of 6dlp by Molmil](/molmil-images/mine/6dlp) | Crystal structure of LRRK2 WD40 domain dimer | Descriptor: | Leucine-rich repeat serine/threonine-protein kinase 2, PLATINUM (II) ION | Authors: | Zhang, P, Ru, H, Wang, L, Wu, H. | Deposit date: | 2018-06-02 | Release date: | 2019-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal structure of the WD40 domain dimer of LRRK2. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3F17
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![BU of 3f17 by Molmil](/molmil-images/mine/3f17) | |
3F15
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![BU of 3f15 by Molmil](/molmil-images/mine/3f15) | |
3VUU
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![BU of 3vuu by Molmil](/molmil-images/mine/3vuu) | Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum | Descriptor: | CHLORIDE ION, Erythrocyte membrane protein, putative | Authors: | Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. | Deposit date: | 2012-07-09 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum J.Biol.Chem., 287, 2012
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3F18
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![BU of 3f18 by Molmil](/molmil-images/mine/3f18) | |
3DPF
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![BU of 3dpf by Molmil](/molmil-images/mine/3dpf) | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, ... | Authors: | Pochetti, G, Montanari, R, Mazza, F. | Deposit date: | 2008-07-08 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
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3D9T
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![BU of 3d9t by Molmil](/molmil-images/mine/3d9t) | |
3DEJ
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![BU of 3dej by Molmil](/molmil-images/mine/3dej) | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | Descriptor: | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 | Authors: | Wu, J, Du, J, Li, J, Ding, J. | Deposit date: | 2008-06-10 | Release date: | 2008-09-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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3DNG
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![BU of 3dng by Molmil](/molmil-images/mine/3dng) | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | Descriptor: | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide, CALCIUM ION, Neutrophil collagenase, ... | Authors: | Pochetti, G, Montanari, R, Mazza, F. | Deposit date: | 2008-07-02 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
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3UR6
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![BU of 3ur6 by Molmil](/molmil-images/mine/3ur6) | 1.5A resolution structure of apo Norwalk Virus Protease | Descriptor: | 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | Deposit date: | 2011-11-21 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
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3FKT
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![BU of 3fkt by Molmil](/molmil-images/mine/3fkt) | |
3UR9
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![BU of 3ur9 by Molmil](/molmil-images/mine/3ur9) | 1.65A resolution structure of Norwalk Virus Protease Containing a covalently bound dipeptidyl inhibitor | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like protease, CHLORIDE ION | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | Deposit date: | 2011-11-21 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
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3FVL
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![BU of 3fvl by Molmil](/molmil-images/mine/3fvl) | Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group | Descriptor: | (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid, Carboxypeptidase A1, ZINC ION | Authors: | Wang, S.F, Jin, J.-Y, Tian, G.R. | Deposit date: | 2009-01-16 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Optical 2-benzyl-5-hydroxy4oxopentanoic acids against carboxypeptidase A: Synthesis, kinetic evaluation and X-ray crystallographic study CHIN.CHEM.LETT., 21, 2010
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3FX6
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![BU of 3fx6 by Molmil](/molmil-images/mine/3fx6) | X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group | Descriptor: | (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid, Carboxypeptidase A1, ZINC ION | Authors: | Wang, S.F, Jin, J.Y, Tian, G.R. | Deposit date: | 2009-01-20 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Characterization of alpha-nitromethyl ketone as a new zinc-binding group based on structural analysis of its complex with carboxypeptidase A Bioorg.Med.Chem.Lett., 19, 2009
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3DPE
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![BU of 3dpe by Molmil](/molmil-images/mine/3dpe) | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | Descriptor: | CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, Neutrophil collagenase, ... | Authors: | Pochetti, G, Montanari, R, Mazza, F. | Deposit date: | 2008-07-08 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
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3DEI
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![BU of 3dei by Molmil](/molmil-images/mine/3dei) | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | Descriptor: | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 | Authors: | Wu, J, Du, J, Li, J, Ding, J. | Deposit date: | 2008-06-10 | Release date: | 2008-09-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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3G42
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![BU of 3g42 by Molmil](/molmil-images/mine/3g42) | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | Descriptor: | ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION | Authors: | Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I. | Deposit date: | 2009-02-03 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem., 17, 2009
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3V6L
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![BU of 3v6l by Molmil](/molmil-images/mine/3v6l) | Crystal Structure of caspase-6 inactivation mutation | Descriptor: | Caspase-6 | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | Deposit date: | 2011-12-20 | Release date: | 2012-03-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays J.Biol.Chem., 287, 2012
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3V6M
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![BU of 3v6m by Molmil](/molmil-images/mine/3v6m) | Inhibition of caspase-6 activity by single mutation outside the active site | Descriptor: | Caspase-6 | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | Deposit date: | 2011-12-20 | Release date: | 2012-03-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.692 Å) | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays J.Biol.Chem., 287, 2012
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3EDG
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![BU of 3edg by Molmil](/molmil-images/mine/3edg) | |
4AGK
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![BU of 4agk by Molmil](/molmil-images/mine/4agk) | |
3DEK
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![BU of 3dek by Molmil](/molmil-images/mine/3dek) | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | Descriptor: | Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | Authors: | Wu, J, Du, J, Li, J, Ding, J. | Deposit date: | 2008-06-10 | Release date: | 2008-09-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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3GJT
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![BU of 3gjt by Molmil](/molmil-images/mine/3gjt) | Caspase-3 Binds Diverse P4 Residues in Peptides | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2009-03-09 | Release date: | 2009-03-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
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3H0E
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![BU of 3h0e by Molmil](/molmil-images/mine/3h0e) | 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3 | Descriptor: | (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol, Caspase-3 | Authors: | Xu, W. | Deposit date: | 2009-04-09 | Release date: | 2009-11-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3 Bioorg.Med.Chem., 17, 2009
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3H0B
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![BU of 3h0b by Molmil](/molmil-images/mine/3h0b) | Discovery of aminoheterocycles as a novel beta-secretase inhibitor class | Descriptor: | 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine, Beta-secretase 1 | Authors: | Allison, T.J. | Deposit date: | 2009-04-08 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1. Bioorg.Med.Chem.Lett., 19, 2009
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