6IML
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![BU of 6iml by Molmil](/molmil-images/mine/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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8J4F
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![BU of 8j4f by Molmil](/molmil-images/mine/8j4f) | Structure of human Nav1.7 in complex with Hardwickii acid | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | 著者 | Wu, Q.R, Yan, N. | 登録日 | 2023-04-19 | 公開日 | 2023-06-14 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8X17
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![BU of 8x17 by Molmil](/molmil-images/mine/8x17) | Cryo-EM structure of adenosine receptor A3AR bound to CF102 | 分子名称: | Adenosine receptor A3, 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, ... | 著者 | Cai, H, Xu, Y, Xu, H.E. | 登録日 | 2023-11-06 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists. Nat Commun, 15, 2024
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8X16
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![BU of 8x16 by Molmil](/molmil-images/mine/8x16) | Cryo-EM structure of adenosine receptor A3AR bound to CF101 | 分子名称: | Adenosine receptor A3, 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, ... | 著者 | Cai, H, Xu, Y, Xu, H.E. | 登録日 | 2023-11-06 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists. Nat Commun, 15, 2024
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8WYP
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5JWB
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![BU of 5jwb by Molmil](/molmil-images/mine/5jwb) | Structure of NDH2 from plasmodium falciparum in complex with NADH | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Yu, Y, Li, X.L. | 登録日 | 2016-05-12 | 公開日 | 2017-03-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 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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5PGW
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![BU of 5pgw by Molmil](/molmil-images/mine/5pgw) | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | 分子名称: | 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Sheriff, S. | 登録日 | 2017-02-06 | 公開日 | 2017-11-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J. Med. Chem., 60, 2017
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5PGV
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![BU of 5pgv by Molmil](/molmil-images/mine/5pgv) | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE | 分子名称: | 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Sheriff, S. | 登録日 | 2017-02-06 | 公開日 | 2017-11-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J. Med. Chem., 60, 2017
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4RC6
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![BU of 4rc6 by Molmil](/molmil-images/mine/4rc6) | Crystal structure of cyanobacterial aldehyde-deformylating oxygenase 122F mutant | 分子名称: | Aldehyde decarbonylase, FE (II) ION | 著者 | Jia, C.J, Li, M, Li, J.J, Zhang, J.J, Zhang, H.M, Cao, P, Pan, X.W, Lu, X.F, Chang, W.R. | 登録日 | 2014-09-14 | 公開日 | 2014-12-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases. Protein Cell, 6, 2015
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8XAR
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![BU of 8xar by Molmil](/molmil-images/mine/8xar) | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54 | 分子名称: | 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | 著者 | Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L. | 登録日 | 2023-12-05 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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4X3T
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![BU of 4x3t by Molmil](/molmil-images/mine/4x3t) | Crystal structure of chromobox homolog 7 (CBX7) chromodomain with MS37452 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone, Chromobox protein homolog 7, ... | 著者 | Ren, C, Jakoncic, J, Zhou, M.M. | 登録日 | 2014-12-01 | 公開日 | 2015-03-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain. Chem.Biol., 22, 2015
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7MF1
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![BU of 7mf1 by Molmil](/molmil-images/mine/7mf1) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 47D1 Fab heavy chain, ... | 著者 | Yuan, M, Zhu, X, Wilson, I.A. | 登録日 | 2021-04-08 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.092 Å) | 主引用文献 | Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2. Cell Rep, 35, 2021
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5BPA
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![BU of 5bpa by Molmil](/molmil-images/mine/5bpa) | |
5BOT
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![BU of 5bot by Molmil](/molmil-images/mine/5bot) | |
5BOY
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6IEG
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![BU of 6ieg by Molmil](/molmil-images/mine/6ieg) | Crystal structure of human MTR4 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION | 著者 | Chen, J.Y, Yun, C.H. | 登録日 | 2018-09-14 | 公開日 | 2019-04-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | 主引用文献 | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction. Genes Dev., 33, 2019
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6IEH
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![BU of 6ieh by Molmil](/molmil-images/mine/6ieh) | Crystal structures of the hMTR4-NRDE2 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ... | 著者 | Chen, J.Y, Yun, C.H. | 登録日 | 2018-09-14 | 公開日 | 2019-04-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.892 Å) | 主引用文献 | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction. Genes Dev., 33, 2019
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8XB0
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![BU of 8xb0 by Molmil](/molmil-images/mine/8xb0) | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | 分子名称: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | 著者 | Tong, S.L, Zhang, G.P. | 登録日 | 2023-12-05 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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4X3K
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4X3U
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![BU of 4x3u by Molmil](/molmil-images/mine/4x3u) | Crystal structure of chromobox homolog 7 (CBX7) chromodomain with Suramin | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Chromobox protein homolog 7 | 著者 | Ren, C, Zhou, M.M. | 登録日 | 2014-12-01 | 公開日 | 2015-03-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain. Chem.Biol., 22, 2015
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4X3S
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![BU of 4x3s by Molmil](/molmil-images/mine/4x3s) | Crystal structure of chromobox homology 7 (CBX7) with SETDB1-1170me3 Peptide | 分子名称: | CITRIC ACID, Chromobox protein homolog 7, FE (III) ION, ... | 著者 | Ren, C, Plotnikov, A.N, Zhou, M.M. | 登録日 | 2014-12-01 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain. Chem.Biol., 22, 2015
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6INH
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![BU of 6inh by Molmil](/molmil-images/mine/6inh) | A glycosyltransferase with UDP and the substrate | 分子名称: | 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ... | 著者 | Zhu, X. | 登録日 | 2018-10-25 | 公開日 | 2019-07-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations. Nat Commun, 10, 2019
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6INF
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![BU of 6inf by Molmil](/molmil-images/mine/6inf) | a glycosyltransferase complex with UDP | 分子名称: | UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | 著者 | Zhu, X, Yang, T, Naismith, J.H. | 登録日 | 2018-10-25 | 公開日 | 2019-07-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations. Nat Commun, 10, 2019
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6ING
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![BU of 6ing by Molmil](/molmil-images/mine/6ing) | |