7CSH
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![BU of 7csh by Molmil](/molmil-images/mine/7csh) | AtPrR2 with NADP+ and (+)pinoresinol | 分子名称: | 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 2 | 著者 | Shao, K, Zhang, P. | 登録日 | 2020-08-14 | 公開日 | 2021-06-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.590775 Å) | 主引用文献 | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
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7CS7
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![BU of 7cs7 by Molmil](/molmil-images/mine/7cs7) | IiPLR1 with NADP+ and (+)secoisolariciresinol | 分子名称: | (2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase | 著者 | Shao, K, Zhang, P. | 登録日 | 2020-08-14 | 公開日 | 2021-06-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.297653 Å) | 主引用文献 | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
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6APW
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![BU of 6apw by Molmil](/molmil-images/mine/6apw) | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | 分子名称: | 4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid, Bifunctional ligase/repressor BirA | 著者 | Cini, D.A, Wilce, M.C.J. | 登録日 | 2017-08-18 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.614 Å) | 主引用文献 | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis, 4, 2018
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6AQQ
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![BU of 6aqq by Molmil](/molmil-images/mine/6aqq) | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | 分子名称: | (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Bifunctional ligase/repressor BirA | 著者 | Cini, D.A, Wilce, M.C.J. | 登録日 | 2017-08-21 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis, 4, 2018
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6J9O
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![BU of 6j9o by Molmil](/molmil-images/mine/6j9o) | |
6M53
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![BU of 6m53 by Molmil](/molmil-images/mine/6m53) | Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum | 分子名称: | 2,3-dihydroxybenzoate decarboxylase, GLYCEROL, ZINC ION | 著者 | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | 登録日 | 2020-03-09 | 公開日 | 2020-07-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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6IHH
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![BU of 6ihh by Molmil](/molmil-images/mine/6ihh) | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | 分子名称: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | 登録日 | 2018-09-30 | 公開日 | 2019-10-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase. Nat Catal, 2, 2019
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6IHI
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![BU of 6ihi by Molmil](/molmil-images/mine/6ihi) | Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O | 分子名称: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | 登録日 | 2018-09-30 | 公開日 | 2019-10-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase. Nat Catal, 2, 2019
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7SZR
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![BU of 7szr by Molmil](/molmil-images/mine/7szr) | NIK bound to inhibitor G02792917 | 分子名称: | 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Liau, N.P.D, Hymowitz, S.G. | 登録日 | 2021-11-29 | 公開日 | 2023-06-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design. Bioorg.Med.Chem.Lett., 89, 2023
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6G4Z
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![BU of 6g4z by Molmil](/molmil-images/mine/6g4z) | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f | 分子名称: | 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14 | 著者 | Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G. | 登録日 | 2018-03-28 | 公開日 | 2018-07-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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7RDW
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![BU of 7rdw by Molmil](/molmil-images/mine/7rdw) | |
6G4Y
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![BU of 6g4y by Molmil](/molmil-images/mine/6g4y) | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | 分子名称: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | 登録日 | 2018-03-28 | 公開日 | 2018-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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5UGH
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![BU of 5ugh by Molmil](/molmil-images/mine/5ugh) | Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366 | 分子名称: | 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2 | 著者 | Kaiser, S.E, Feng, J, Stewart, A.E. | 登録日 | 2017-01-08 | 公開日 | 2017-05-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.062 Å) | 主引用文献 | Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A. Nat. Chem. Biol., 13, 2017
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6O9D
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![BU of 6o9d by Molmil](/molmil-images/mine/6o9d) | Structure of the IRAK4 kinase domain with compound 5 | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | 著者 | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | 登録日 | 2019-03-13 | 公開日 | 2019-05-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6OL7
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![BU of 6ol7 by Molmil](/molmil-images/mine/6ol7) | |
6OL6
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![BU of 6ol6 by Molmil](/molmil-images/mine/6ol6) | Structure of iglb12 scFv in complex with anti-idiotype ib2 Fab | 分子名称: | CHLORIDE ION, ib2 Heavy Chain, ib2 Light Chain, ... | 著者 | Weidle, C, Pancera, M, Gewe, M. | 登録日 | 2019-04-15 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Detection and activation of HIV broadly neutralizing antibody precursor B cells using anti-idiotypes. J.Exp.Med., 216, 2019
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6OL5
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5IL1
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![BU of 5il1 by Molmil](/molmil-images/mine/5il1) | Crystal structure of SAM-bound METTL3-METTL14 complex | 分子名称: | 1,2-ETHANEDIOL, METTL14, METTL3, ... | 著者 | Wang, X, Guan, Z, Zou, T, Yin, P. | 登録日 | 2016-03-04 | 公開日 | 2016-05-25 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016
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5IL0
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![BU of 5il0 by Molmil](/molmil-images/mine/5il0) | Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ... | 著者 | Wang, X, Guan, Z, Zou, T, Yin, P. | 登録日 | 2016-03-04 | 公開日 | 2016-05-25 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (1.882 Å) | 主引用文献 | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016
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5IL2
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![BU of 5il2 by Molmil](/molmil-images/mine/5il2) | Crystal structure of SAH-bound METTL3-METTL14 complex | 分子名称: | 1,2-ETHANEDIOL, METTL14, METTL3, ... | 著者 | Wang, X, Guan, Z, Zou, T, Yin, P. | 登録日 | 2016-03-04 | 公開日 | 2016-05-25 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (1.606 Å) | 主引用文献 | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016
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5JHU
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![BU of 5jhu by Molmil](/molmil-images/mine/5jhu) | Potent, Reversible MetAP2 Inhibitors via FBDD | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Dougan, D.R. | 登録日 | 2016-04-21 | 公開日 | 2016-05-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1. Bioorg.Med.Chem.Lett., 26, 2016
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5JI6
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![BU of 5ji6 by Molmil](/molmil-images/mine/5ji6) | Potent, Reversible MetAP2 Inhibitors via FBDD | 分子名称: | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole, MANGANESE (II) ION, Methionine aminopeptidase 2, ... | 著者 | Dougan, D.R, Lawson, J.D. | 登録日 | 2016-04-21 | 公開日 | 2016-05-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1. Bioorg.Med.Chem.Lett., 26, 2016
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4WTD
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![BU of 4wtd by Molmil](/molmil-images/mine/4wtd) | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH ADP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AUAAAUUU | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | 著者 | Edwards, T.E, Fox III, D, Appleby, T.C. | 登録日 | 2014-10-29 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for RNA replication by the hepatitis C virus polymerase. Science, 347, 2015
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4WTF
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![BU of 4wtf by Molmil](/molmil-images/mine/4wtf) | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH GS-639475, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU | 分子名称: | 2'-C-methyluridine 5'-(trihydrogen diphosphate), CHLORIDE ION, MANGANESE (II) ION, ... | 著者 | Edwards, T.E, Appleby, T.C, Mcgrath, M.E. | 登録日 | 2014-10-30 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural basis for RNA replication by the hepatitis C virus polymerase. Science, 347, 2015
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4WTJ
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![BU of 4wtj by Molmil](/molmil-images/mine/4wtj) | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-AUCC, RNA PRIMER 5'-PGG, MN2+, AND ADP | 分子名称: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Edwards, T.E, Appleby, T.C. | 登録日 | 2014-10-30 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for RNA replication by the hepatitis C virus polymerase. Science, 347, 2015
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