6Y2J
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![BU of 6y2j by Molmil](/molmil-images/mine/6y2j) | Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ... | 著者 | Chung, C. | 登録日 | 2020-02-16 | 公開日 | 2020-04-08 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.886 Å) | 主引用文献 | Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite. Acs Infect Dis., 6, 2020
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6QX1
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![BU of 6qx1 by Molmil](/molmil-images/mine/6qx1) | 2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA. | 分子名称: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | 著者 | Bax, B.D. | 登録日 | 2019-03-06 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase. Bioorg.Med.Chem.Lett., 29, 2019
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6QX2
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![BU of 6qx2 by Molmil](/molmil-images/mine/6qx2) | 3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA | 分子名称: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | 著者 | Bax, B.D. | 登録日 | 2019-03-06 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase. Bioorg.Med.Chem.Lett., 29, 2019
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6RQX
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6RYF
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![BU of 6ryf by Molmil](/molmil-images/mine/6ryf) | High-resolution crystal structure of ERAP1 in complex with 15mer phosphinic peptide | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Giastas, P, Stratikos, E. | 登録日 | 2019-06-10 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1. Proc.Natl.Acad.Sci.USA, 2019
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6HM6
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![BU of 6hm6 by Molmil](/molmil-images/mine/6hm6) | |
6HM7
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7Q6H
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![BU of 7q6h by Molmil](/molmil-images/mine/7q6h) | |
2O0U
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![BU of 2o0u by Molmil](/molmil-images/mine/2o0u) | Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide | 分子名称: | Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE | 著者 | Rowland, P, Somers, D. | 登録日 | 2006-11-28 | 公開日 | 2007-02-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg.Med.Chem.Lett., 17, 2007
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2O2U
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![BU of 2o2u by Molmil](/molmil-images/mine/2o2u) | Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | 分子名称: | Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | 著者 | Somers, D, Rowland, P. | 登録日 | 2006-11-30 | 公開日 | 2007-02-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg.Med.Chem.Lett., 17, 2007
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5FV2
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![BU of 5fv2 by Molmil](/molmil-images/mine/5fv2) | Crystal structure of hVEGF in complex with VH domain antibody | 分子名称: | VASCULAR ENDOTHELIAL GROWTH FACTOR, VH DOMAIN ANTIBODY | 著者 | Chung, C, Batuwangala, T. | 登録日 | 2016-02-02 | 公開日 | 2016-02-17 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept. J.Biol.Chem., 291, 2016
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5FV1
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![BU of 5fv1 by Molmil](/molmil-images/mine/5fv1) | Crystal structure of hVEGF in complex with VK domain antibody | 分子名称: | VASCULAR ENDOTHELIAL GROWTH FACTOR A, VK DOMAIN ANTIBODY | 著者 | Chung, C, Walker, A. | 登録日 | 2016-02-02 | 公開日 | 2016-02-17 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept. J.Biol.Chem., 291, 2016
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1OVB
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![BU of 1ovb by Molmil](/molmil-images/mine/1ovb) | THE MECHANISM OF IRON UPTAKE BY TRANSFERRINS: THE STRUCTURE OF AN 18KD NII-DOMAIN FRAGMENT AT 2.3 ANGSTROMS RESOLUTION | 分子名称: | CARBONATE ION, FE (III) ION, OVOTRANSFERRIN | 著者 | Kuser, P, Lindley, P, Sarra, R. | 登録日 | 1992-10-05 | 公開日 | 1994-01-31 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The mechanism of iron uptake by transferrins: the structure of an 18 kDa NII-domain fragment from duck ovotransferrin at 2.3 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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7NPL
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![BU of 7npl by Molmil](/molmil-images/mine/7npl) | ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11 | 分子名称: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide | 著者 | Chung, C. | 登録日 | 2021-02-27 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding. Bioorg.Med.Chem.Lett., 41, 2021
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7NPK
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![BU of 7npk by Molmil](/molmil-images/mine/7npk) | ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3 | 分子名称: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide | 著者 | Chung, C. | 登録日 | 2021-02-27 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding. Bioorg.Med.Chem.Lett., 41, 2021
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6T6R
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![BU of 6t6r by Molmil](/molmil-images/mine/6t6r) | Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid | 分子名称: | (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ... | 著者 | Rowland, P. | 登録日 | 2019-10-18 | 公開日 | 2020-03-18 | 最終更新日 | 2020-04-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation. J.Med.Chem., 63, 2020
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7Q7K
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7Q7L
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7Q7I
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![BU of 7q7i by Molmil](/molmil-images/mine/7q7i) | |
7Q7W
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![BU of 7q7w by Molmil](/molmil-images/mine/7q7w) | |
7NSL
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4YJS
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![BU of 4yjs by Molmil](/molmil-images/mine/4yjs) | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000226 | 分子名称: | 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK | 著者 | Somers, D.O. | 登録日 | 2015-03-03 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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9EM1
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![BU of 9em1 by Molmil](/molmil-images/mine/9em1) | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate | 分子名称: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ... | 著者 | Brenner, M, Gohla, A, Schindelin, H. | 登録日 | 2024-03-07 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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6HSO
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![BU of 6hso by Molmil](/molmil-images/mine/6hso) | Crystal structure of the ternary complex of GephE-ADP-Glycine receptor derived peptide | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione), ACETATE ION, ... | 著者 | Kasaragod, V.B, Schindelin, H. | 登録日 | 2018-10-01 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. Neuron, 101, 2019
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6HSN
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![BU of 6hsn by Molmil](/molmil-images/mine/6hsn) | Crystal structure of the ternary complex of GephE-ADP-GABA(A) receptor derived peptide | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), ACETATE ION, ... | 著者 | Kasaragod, V.B, Schindelin, H. | 登録日 | 2018-10-01 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. Neuron, 101, 2019
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