5AWP
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5AWQ
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1ARB
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1ARC
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3KDB
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![BU of 3kdb by Molmil](/molmil-images/mine/3kdb) | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006 | 分子名称: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | 著者 | Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M. | 登録日 | 2009-10-22 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | How much binding affinity can be gained by filling a cavity? Chem.Biol.Drug Des., 75, 2010
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7C5W
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7C5Y
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7C5X
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7C5V
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2E8I
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![BU of 2e8i by Molmil](/molmil-images/mine/2e8i) | Structure of 6-aminohexanoate-dimer hydrolase, D1 mutant | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | 著者 | Shibata, N, Higuchi, Y, Negoro, S. | 登録日 | 2007-01-20 | 公開日 | 2008-01-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold. Febs J., 276, 2009
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2ZMA
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![BU of 2zma by Molmil](/molmil-images/mine/2zma) | Crystal Structure of 6-Aminohexanoate-dimer Hydrolase S112A/G181D/H266N/D370Y Mutant with Substrate | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | 著者 | Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S. | 登録日 | 2008-04-14 | 公開日 | 2009-04-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold Febs J., 276, 2009
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3ANR
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![BU of 3anr by Molmil](/molmil-images/mine/3anr) | human DYRK1A/harmine complex | 分子名称: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Nonaka, Y, Hosoya, T, Hagiwara, M, Ito, N. | 登録日 | 2010-09-06 | 公開日 | 2010-11-10 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A Nat Commun, 1, 2010
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3ANQ
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![BU of 3anq by Molmil](/molmil-images/mine/3anq) | human DYRK1A/inhibitor complex | 分子名称: | (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Nonaka, Y, Hosoya, T, Hagiwara, M, Ito, N. | 登録日 | 2010-09-06 | 公開日 | 2010-11-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A Nat Commun, 1, 2010
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1VFT
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![BU of 1vft by Molmil](/molmil-images/mine/1vft) | Crystal structure of L-cycloserine-bound form of alanine racemase from D-cycloserine-producing Streptomyces lavendulae | 分子名称: | CHLORIDE ION, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, alanine racemase | 著者 | Noda, M, Matoba, Y, Kumagai, T, Sugiyama, M. | 登録日 | 2004-04-19 | 公開日 | 2004-09-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural evidence that alanine racemase from a D-cycloserine-producing microorganism exhibits resistance to its own product. J.Biol.Chem., 279, 2004
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3VX8
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6E0R
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![BU of 6e0r by Molmil](/molmil-images/mine/6e0r) | hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine | 分子名称: | ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine | 著者 | Lane, W, Saikatendu, K. | 登録日 | 2018-07-06 | 公開日 | 2019-05-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | 主引用文献 | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
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6EDL
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![BU of 6edl by Molmil](/molmil-images/mine/6edl) | hALK in complex with compound 1 (S)-N-(1-(2,4-difluorophenyl)ethyl)-3-(3-methyl-1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-amine | 分子名称: | ALK tyrosine kinase receptor, N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | 著者 | Lane, W, Saikatendu, K. | 登録日 | 2018-08-09 | 公開日 | 2019-05-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | 主引用文献 | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
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3VYF
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![BU of 3vyf by Molmil](/molmil-images/mine/3vyf) | Human renin in complex with inhibitor 9 | 分子名称: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-09-24 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VYE
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![BU of 3vye by Molmil](/molmil-images/mine/3vye) | Human renin in complex with inhibitor 7 | 分子名称: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Matsui, Y, Hanzawa, H. | 登録日 | 2012-09-24 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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7YOW
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8I1C
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1VCK
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![BU of 1vck by Molmil](/molmil-images/mine/1vck) | Crystal structure of ferredoxin component of carbazole 1,9a-dioxygenase of Pseudomonas resinovorans strain CA10 | 分子名称: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, HYDROSULFURIC ACID, ... | 著者 | Nam, J.-W, Noguchi, H, Fujiomoto, Z, Mizuno, H, Fushinobu, S, Kobashi, N, Iwata, K, Yoshida, T, Habe, H, Yamane, H, Omori, T, Nojiri, H. | 登録日 | 2004-03-09 | 公開日 | 2005-03-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of the ferredoxin component of carbazole 1,9a-dioxygenase of Pseudomonas resinovorans strain CA10, a novel Rieske non-heme iron oxygenase system PROTEINS, 58, 2005
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8I1A
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8I1I
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![BU of 8i1i by Molmil](/molmil-images/mine/8i1i) | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP at pH 7.7 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | 著者 | Nakamura, T, Yamagata, Y. | 登録日 | 2023-01-13 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
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8I1D
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![BU of 8i1d by Molmil](/molmil-images/mine/8i1d) | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 7.7 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | 著者 | Nakamura, T, Yamagata, Y. | 登録日 | 2023-01-13 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
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