6W7L
 
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | 登録日 | 2020-03-19 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.856 Å) | | 主引用文献 | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
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6W7K
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | 登録日 | 2020-03-19 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
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8H3T
 | | The crystal structure of AlpH | | 分子名称: | AlpH, GLYCEROL | | 著者 | Zhao, Y, Li, M, Jiang, M, Pan, L.F. | | 登録日 | 2022-10-09 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.866 Å) | | 主引用文献 | O-methyltransferase-like enzyme catalyzed diazo installation in polyketide biosynthesis.
Nat Commun, 14, 2023
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8TNO
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8TNM
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8UG3
 | | Crystal structure of KHK-C and compound 23 | | 分子名称: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | | 著者 | Durbin, J.D, Guo, S.Y. | | 登録日 | 2023-10-05 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
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8UG1
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3RO2
 | | Structures of the LGN/NuMA complex | | 分子名称: | G-protein-signaling modulator 2, GLYCEROL, peptide of Nuclear mitotic apparatus protein 1 | | 著者 | Shang, Y, Wei, Z. | | 登録日 | 2011-04-25 | | 公開日 | 2012-03-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
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7X6L
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7X6O
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5TIH
 | | Structural basis for inhibition of erythrocyte invasion by antibodies to Plasmodium falciparum protein CyRPA | | 分子名称: | ACETATE ION, CyRPA antibody Fab Heavy Chain, CyRPA antibody Fab Light Chain, ... | | 著者 | Chen, L, Xu, Y, Wang, W, Thompson, J.K, Goddard-Borger, E, Lawrence, M.C, Cowman, A.F. | | 登録日 | 2016-10-03 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural basis for inhibition of erythrocyte invasion by antibodies toPlasmodium falciparumprotein CyRPA.
Elife, 6, 2017
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5TIK
 | | Structural basis for inhibition of erythrocyte invasion by antibodies to Plasmodium falciparum protein CyRPA | | 分子名称: | Cysteine-rich protective antigen | | 著者 | Chen, L, Xu, Y, Wang, W, Thompson, J.K, Goddard-Borger, E, Lawrence, M.C, Cowman, A.F. | | 登録日 | 2016-10-03 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Structural basis for inhibition of erythrocyte invasion by antibodies toPlasmodium falciparumprotein CyRPA.
Elife, 6, 2017
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5VVR
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4C0P
 | | Unliganded Transportin 3 | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TRANSPORTIN-3 | | 著者 | Maertens, G.N, Cook, N.J, Hare, S, Cherepanov, P. | | 登録日 | 2013-08-06 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5XS5
 | | Structure of Coxsackievirus A6 (CVA6) virus procapsid particle | | 分子名称: | Genome polyprotein | | 著者 | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W. | | 登録日 | 2017-06-12 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
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7T1F
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3BC5
 | | X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid | | 分子名称: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Muckelbauer, J.K. | | 登録日 | 2007-11-12 | | 公開日 | 2008-11-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009
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8H3D
 | | Structure of apo SARS-CoV-2 spike protein with one RBD up | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | 著者 | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | | 登録日 | 2022-10-08 | | 公開日 | 2023-03-22 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
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8H3E
 | | Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin | | 著者 | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | | 登録日 | 2022-10-08 | | 公開日 | 2023-03-22 | | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | | 主引用文献 | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
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4JH0
 | | Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide | | 分子名称: | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4 | | 著者 | Klei, H.E. | | 登録日 | 2013-03-04 | | 公開日 | 2013-09-04 | | 最終更新日 | 2013-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
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5XS4
 | | Structure of Coxsackievirus A6 (CVA6) virus A-particle | | 分子名称: | Genome polyprotein | | 著者 | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | | 登録日 | 2017-06-12 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
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6KLR
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8HRU
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8HRI
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8HRM
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