6LQL
| Complex structure of CHAO with product from Erythrobacteraceae bacterium | 分子名称: | 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Huang, Z.D. | 登録日 | 2020-01-14 | 公開日 | 2020-06-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight. J.Org.Chem., 85, 2020
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8URF
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7WY5
| ADGRL3/Gq complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | 著者 | He, Y, Qian, Y. | 登録日 | 2022-02-15 | 公開日 | 2022-10-26 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling. Mol.Cell, 82, 2022
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7WYB
| ADGRL3/Gi complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | 著者 | He, Y, Qian, Y. | 登録日 | 2022-02-15 | 公開日 | 2022-10-26 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Structural insights into adhesion GPCR ADGRL3 activation and G q , G s , G i , and G 12 coupling. Mol.Cell, 82, 2022
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7WY8
| ADGRL3/Gs complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | 著者 | He, Y, Qian, Y. | 登録日 | 2022-02-15 | 公開日 | 2022-10-26 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling Mol.Cell, 82, 2022
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7X10
| ADGRL3/miniG12 complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | 著者 | He, Y, Qian, Y. | 登録日 | 2022-02-22 | 公開日 | 2022-11-09 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | 主引用文献 | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling. Mol.Cell, 82, 2022
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7XR4
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7XR6
| Structure of human excitatory amino acid transporter 2 (EAAT2) in complex with WAY-213613 | 分子名称: | (2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Zhao, Y, Zhang, Z. | 登録日 | 2022-05-09 | 公開日 | 2022-06-22 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural basis of ligand binding modes of human EAAT2. Nat Commun, 13, 2022
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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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6O8U
| Crystal structure of IRAK4 in complex with compound 23 | 分子名称: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | 著者 | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | 登録日 | 2019-03-12 | 公開日 | 2019-05-22 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6O94
| Structure of the IRAK4 kinase domain with compound 17 | 分子名称: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-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 (1.98 Å) | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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1I5U
| SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE MUTANT (E48A/E56A/D60A) | 分子名称: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Qian, C, Yao, Y, Tang, W, Wang, J, Zhongxian, H. | 登録日 | 2001-02-28 | 公開日 | 2001-03-21 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Effects of charged amino-acid mutation on the solution structure of cytochrome b(5) and binding between cytochrome b(5) and cytochrome c. Protein Sci., 10, 2001
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7RWI
| Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198 | 分子名称: | (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Molodtsov, V, Ebright, R.H. | 登録日 | 2021-08-19 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens. J.Med.Chem., 65, 2022
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6O95
| Structure of the IRAK4 kinase domain with compound 41 | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | 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 (1.77 Å) | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6IMK
| The crystal structure of AsfvLIG:CG complex | 分子名称: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | 著者 | Chen, Y.Q, Gan, J.H. | 登録日 | 2018-10-23 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IMN
| The crystal structure of AsfvLIG:CT2 complex | 分子名称: | CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | 著者 | Chen, Y.Q, Gan, J.H. | 登録日 | 2018-10-23 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IML
| The crystal structure of AsfvLIG:CT1 complex | 分子名称: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | 著者 | Chen, Y.Q, Gan, J.H. | 登録日 | 2018-10-23 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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6IMJ
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6ITS
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8JU6
| Structure of human TRPV4 with antagonist GSK279 | 分子名称: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | 著者 | Fan, J, Lei, X. | 登録日 | 2023-06-24 | 公開日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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8JU5
| Structure of human TRPV4 with antagonist A1 | 分子名称: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | 著者 | Fan, J, Lei, X. | 登録日 | 2023-06-24 | 公開日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | 主引用文献 | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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8JVJ
| Structure of human TRPV4 with antagonist A2 and RhoA | 分子名称: | Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | 著者 | Fan, J, Lei, X. | 登録日 | 2023-06-28 | 公開日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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5JRE
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8JVI
| Structure of human TRPV4 with antagonist A2 | 分子名称: | Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | 著者 | Fan, J, Lei, X. | 登録日 | 2023-06-28 | 公開日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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5JWC
| Structure of NDH2 from plasmodium falciparum in complex with RYL-552 | 分子名称: | 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ... | 著者 | Yu, Y. | 登録日 | 2016-05-12 | 公開日 | 2017-03-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | 主引用文献 | Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria J. Med. Chem., 60, 2017
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