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7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
6CSU
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BU of 6csu by Molmil
The structure of the Cep63-Cep152 heterotetrameric complex
分子名称: Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa
著者Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S.
登録日2018-03-21
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
4X2A
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BU of 4x2a by Molmil
Crystal structure of mouse glyoxalase I complexed with baicalein
分子名称: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION
著者Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X.
登録日2014-11-26
公開日2015-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis.
Curr Top Med Chem, 16, 2016
5Z6P
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BU of 5z6p by Molmil
The crystal structure of an agarase, AgWH50C
分子名称: B-agarase
著者Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y.
登録日2018-01-24
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability.
Appl. Microbiol. Biotechnol., 103, 2019
7CFM
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BU of 7cfm by Molmil
Cryo-EM structure of the P395-bound GPBAR-Gs complex
分子名称: 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ...
著者Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y.
登録日2020-06-27
公開日2020-09-09
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
7CFN
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BU of 7cfn by Molmil
Cryo-EM structure of the INT-777-bound GPBAR-Gs complex
分子名称: (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid, CHOLESTEROL, G-protein coupled bile acid receptor 1, ...
著者Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y.
登録日2020-06-27
公開日2020-09-09
最終更新日2021-04-07
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
8OWZ
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Crystal structure of human Sirt2 in complex with a triazole-based SirReal
分子名称: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ...
著者Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M.
登録日2023-04-28
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
著者Ma, Q, Zhang, L, Hilgenfeld, R.
登録日2017-03-15
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5XPW
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BU of 5xpw by Molmil
Structure of amphioxus IgVJ-C2 molecule
分子名称: amphioxus IgVJ-C2
著者Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C.
登録日2017-06-05
公開日2018-04-18
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
7AWS
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BU of 7aws by Molmil
Structure of SARS-CoV-2 Main Protease bound to TH-302.
分子名称: 3C-like proteinase, 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine, CHLORIDE ION, ...
著者Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-11-09
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AXM
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BU of 7axm by Molmil
Structure of SARS-CoV-2 Main Protease bound to Pelitinib
分子名称: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-11-09
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
3WQK
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BU of 3wqk by Molmil
Crystal structure of Rv3378c with PO4
分子名称: Diterpene synthase, PHOSPHATE ION
著者Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
登録日2014-01-28
公開日2014-02-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
8JFG
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BU of 8jfg by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFN
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BU of 8jfn by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NAD+ and crotonyl-ACP from Helicobacter pylori
分子名称: Acyl carrier protein, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFM
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Crystal structure of enoyl-ACP reductase FabI in complex with NADH from Helicobacter pylori
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFJ
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BU of 8jfj by Molmil
Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFA
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BU of 8jfa by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADPH from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhou, J.S, Zhang, L.
登録日2023-05-17
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFH
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Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori in an inactive form that priors the acyl substrate delivery
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JF9
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BU of 8jf9 by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase
著者Zhou, J.S, Zhang, L.
登録日2023-05-17
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFI
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BU of 8jfi by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-hexanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
3WQM
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BU of 3wqm by Molmil
Crystal structure of Rv3378c with inhibitor BPH-629
分子名称: Diterpene synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
登録日2014-01-28
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
8CWR
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BU of 8cwr by Molmil
Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group R3
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IRON/SULFUR CLUSTER, NICKEL (II) ION, ...
著者Wan, T, Zhang, L.
登録日2022-05-19
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis.
J.Biol.Chem., 299, 2023
8CWT
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BU of 8cwt by Molmil
Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group P43212
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IRON/SULFUR CLUSTER, NICKEL (II) ION, ...
著者Wan, T, Zhang, L.
登録日2022-05-19
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis.
J.Biol.Chem., 299, 2023
3WQN
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Crystal structure of Rv3378c_Y51F with TPP
分子名称: (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION
著者Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
登録日2014-01-28
公開日2014-02-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
3WQL
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Crystal structure of Rv3378c with Mg2+ and PPi
分子名称: Diterpene synthase, MAGNESIUM ION
著者Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
登録日2014-01-28
公開日2014-02-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014

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