6VG9
 
 | | The crystal structure of the 2009 H1N1/California PA endonuclease I38T mutant in complex with SJ000986248 | | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | 登録日 | 2020-01-07 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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6V9E
 | | The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000988632 | | 分子名称: | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one), MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ... | | 著者 | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | 登録日 | 2019-12-13 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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6VBR
 | | The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986248 | | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | 登録日 | 2019-12-19 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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5EBT
 | | Tankyrase 1 with Phthalazinone 2 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | | 著者 | Kazmirski, S.L, Johannes, J. | | 登録日 | 2015-10-19 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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5E8X
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) IN COMPLEX WITH STAUROSPORINE | | 分子名称: | GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1 | | 著者 | Sheriff, S. | | 登録日 | 2015-10-14 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
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6VM7
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6VOV
 | | Crystal structure of Syk in complex with GS-9876 | | 分子名称: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK | | 著者 | Lansdon, E.B. | | 登録日 | 2020-01-31 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
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6VPG
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6VPM
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6VQF
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST | | 分子名称: | (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma | | 著者 | Sack, J.S. | | 登録日 | 2020-02-05 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
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6VPI
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6VQ5
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6VPL
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6VZ8
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6VO4
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5E8W
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3VFL
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3VEY
 | | glucokinase in complex with glucose and ATPgS | | 分子名称: | 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | 著者 | Liu, S. | | 登録日 | 2012-01-09 | | 公開日 | 2012-02-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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4HEH
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4GP5
 | | Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W from Thermus thermophilus | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | 著者 | Li, Y, Chen, Y, Stout, C.D. | | 登録日 | 2012-08-20 | | 公開日 | 2013-01-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013
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4H3C
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3VZN
 | | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35E mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose | | 分子名称: | Endo-1,4-beta-xylanase, SULFATE ION, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | | 著者 | Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P. | | 登録日 | 2012-10-15 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
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4H4O
 | | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor | | 分子名称: | (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, Exoribonuclease H, ... | | 著者 | Frey, K.M, Anderson, K.S. | | 登録日 | 2012-09-17 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
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1PG9
 | | NMR Solution Structure of an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link in a DNA Dodecamer Duplex | | 分子名称: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) | | 著者 | Wu, Y, Pradhan, P, Havener, J, Chaney, S.G, Campbel, S.L. | | 登録日 | 2003-05-28 | | 公開日 | 2004-07-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of an oxaliplatin 1,2-d(GG) intrastrand cross-link in a DNA dodecamer duplex
J.Mol.Biol., 341, 2004
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4HNN
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