2VCG
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![BU of 2vcg by Molmil](/molmil-images/mine/2vcg) | Crystal structure of a HDAC-like protein HDAH from Bordetella sp. with the bound inhibitor ST-17 | 分子名称: | CHLORIDE ION, GLYCEROL, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | 著者 | Dickmanns, A, Strasser, A, Ficner, R. | 登録日 | 2007-09-24 | 公開日 | 2008-01-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Phenylalanine-Containing Hydroxamic Acids as Selective Inhibitors of Class Iib Histone Deacetylases (Hdacs). Bioorg.Med.Chem., 16, 2008
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4ITP
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3TYV
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![BU of 3tyv by Molmil](/molmil-images/mine/3tyv) | |
3DJP
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![BU of 3djp by Molmil](/molmil-images/mine/3djp) | Bovine Seminal Ribonuclease- Uridine 3' phosphate complex | 分子名称: | Seminal ribonuclease, URACIL ARABINOSE-3'-PHOSPHATE | 著者 | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | 登録日 | 2008-06-24 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
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3DJO
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![BU of 3djo by Molmil](/molmil-images/mine/3djo) | Bovine Seminal Ribonuclease uridine 2' phosphate complex | 分子名称: | ACETATE ION, PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER, Seminal ribonuclease | 著者 | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | 登録日 | 2008-06-24 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
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5A0B
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![BU of 5a0b by Molmil](/molmil-images/mine/5a0b) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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3DJX
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![BU of 3djx by Molmil](/molmil-images/mine/3djx) | Bovine Seminal Ribonuclease- cytidine 5' phosphate complex | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE, Seminal ribonuclease | 著者 | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | 登録日 | 2008-06-24 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
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3DJQ
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![BU of 3djq by Molmil](/molmil-images/mine/3djq) | Bovine Seminal Ribonuclease- Uridine 5' diphosphate complex | 分子名称: | Seminal ribonuclease, URIDINE-5'-DIPHOSPHATE | 著者 | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | 登録日 | 2008-06-24 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
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3DJV
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![BU of 3djv by Molmil](/molmil-images/mine/3djv) | Bovine Seminal Ribonuclease- cytidine 3' phosphate complex | 分子名称: | CYTIDINE-3'-MONOPHOSPHATE, Seminal ribonuclease | 著者 | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | 登録日 | 2008-06-24 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
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3I25
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![BU of 3i25 by Molmil](/molmil-images/mine/3i25) | Potent Beta-Secretase 1 hydroxyethylene Inhibitor | 分子名称: | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | 著者 | Lindberg, J.D, Borkakoti, N, Nystrom, S. | 登録日 | 2009-06-29 | 公開日 | 2010-06-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core Bioorg.Med.Chem., 18, 2010
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2QTU
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![BU of 2qtu by Molmil](/molmil-images/mine/2qtu) | Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand | 分子名称: | (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol, Estrogen receptor beta | 著者 | Richardson, T.I, Dodge, J.A, Wang, Y, Durbin, J.D, Krishnan, V, Norman, B.H. | 登録日 | 2007-08-02 | 公開日 | 2007-10-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies. Bioorg.Med.Chem.Lett., 17, 2007
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4GR8
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![BU of 4gr8 by Molmil](/molmil-images/mine/4gr8) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C | 分子名称: | CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ... | 著者 | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-08-24 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.299 Å) | 主引用文献 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4HXX
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![BU of 4hxx by Molmil](/molmil-images/mine/4hxx) | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1 | 分子名称: | (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ... | 著者 | Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1. Bioorg.Med.Chem., 21, 2013
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4GQL
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![BU of 4gql by Molmil](/molmil-images/mine/4gql) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1 | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | 著者 | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-08-23 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR3
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![BU of 4gr3 by Molmil](/molmil-images/mine/4gr3) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ... | 著者 | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-08-24 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.494 Å) | 主引用文献 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4LGE
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![BU of 4lge by Molmil](/molmil-images/mine/4lge) | Crystal structure of clAP1 BIR3 bound to T3261256 | 分子名称: | (4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | 著者 | Dougan, D.R. | 登録日 | 2013-06-27 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists. Bioorg.Med.Chem., 21, 2013
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4LGU
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![BU of 4lgu by Molmil](/molmil-images/mine/4lgu) | Crystal structure of clAP1 BIR3 bound to T3226692 | 分子名称: | (3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | 著者 | Dougan, D.R, Mol, C.D, Snell, G.P. | 登録日 | 2013-06-28 | 公開日 | 2013-08-28 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists. Bioorg.Med.Chem., 21, 2013
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3C6T
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![BU of 3c6t by Molmil](/molmil-images/mine/3c6t) | Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14 | 分子名称: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-02-05 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg.Med.Chem.Lett., 18, 2008
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3C6U
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![BU of 3c6u by Molmil](/molmil-images/mine/3c6u) | Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22 | 分子名称: | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase | 著者 | Yan, Y, Prasad, S. | 登録日 | 2008-02-05 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg.Med.Chem.Lett., 18, 2008
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4NW6
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![BU of 4nw6 by Molmil](/molmil-images/mine/4nw6) | |
4I7F
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![BU of 4i7f by Molmil](/molmil-images/mine/4i7f) | |
4GR0
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![BU of 4gr0 by Molmil](/molmil-images/mine/4gr0) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide, ... | 著者 | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-08-24 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.497 Å) | 主引用文献 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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2O00
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![BU of 2o00 by Molmil](/molmil-images/mine/2o00) | NMR structure analysis of the Penetratin conjugated Gas (374-394) peptide | 分子名称: | Penetratin conjugated Gas (374-394) peptide | 著者 | D'Ursi, A.M, Rovero, P, Albrizio, S, Espsito, C, D'Errico, G, Novellino, E. | 登録日 | 2006-11-27 | 公開日 | 2007-06-05 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Driving forces in the delivery of penetratin conjugated G protein fragment. J.Med.Chem., 50, 2007
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2NZZ
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![BU of 2nzz by Molmil](/molmil-images/mine/2nzz) | NMR structure analysis of the Penetratin conjugated Gas (374-394) peptide | 分子名称: | Penetratin conjugated Gas (374-394) peptide | 著者 | D'Ursi, A.M, Rovero, P, Albrizio, S, Espsito, C, D'Errico, G, Novellino, E. | 登録日 | 2006-11-27 | 公開日 | 2007-06-05 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Driving forces in the delivery of penetratin conjugated G protein fragment. J.Med.Chem., 50, 2007
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2OPS
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![BU of 2ops by Molmil](/molmil-images/mine/2ops) | Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. | 分子名称: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | 著者 | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. | 登録日 | 2007-01-30 | 公開日 | 2007-05-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
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