8D4Z
| Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763 | 分子名称: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Bell, J.A. | 登録日 | 2022-06-03 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action To Be Published
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6M1J
| The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | 分子名称: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | 著者 | Xu, Z.H, Zhou, Z. | 登録日 | 2020-02-26 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | 主引用文献 | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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6M1S
| The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | 分子名称: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | 著者 | Xu, Z.H, Zhou, Z. | 登録日 | 2020-02-26 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.254 Å) | 主引用文献 | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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7SEL
| E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3) | 分子名称: | (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | 著者 | Payandeh, J, Koth, C.M, Verma, V.A. | 登録日 | 2021-09-30 | 公開日 | 2022-03-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.978 Å) | 主引用文献 | Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity. J.Med.Chem., 65, 2022
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7L26
| HPK1 IN COMPLEX WITH COMPOUND 38 | 分子名称: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2020-12-16 | 公開日 | 2021-03-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7L24
| HPK1 IN COMPLEX WITH COMPOUND 11 | 分子名称: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2020-12-16 | 公開日 | 2021-03-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7L25
| HPK1 IN COMPLEX WITH COMPOUND 18 | 分子名称: | 1,2-ETHANEDIOL, 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2020-12-16 | 公開日 | 2021-03-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7M0L
| HPK1 IN COMPLEX WITH COMPOUND 1 | 分子名称: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2021-03-11 | 公開日 | 2021-04-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7M0K
| HPK1 IN COMPLEX WITH COMPOUND 1 | 分子名称: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2021-03-11 | 公開日 | 2021-04-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7M0M
| HPK1 IN COMPLEX WITH COMPOUND 1 | 分子名称: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Lesburg, C.A. | 登録日 | 2021-03-11 | 公開日 | 2021-04-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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1T09
| Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex NADP | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J. | 登録日 | 2004-04-08 | 公開日 | 2004-06-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity J.Biol.Chem., 279, 2004
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1T0L
| Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP, isocitrate, and calcium(2+) | 分子名称: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | 著者 | Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J. | 登録日 | 2004-04-10 | 公開日 | 2004-06-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity J.Biol.Chem., 279, 2004
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6IIJ
| Cryo-EM structure of CV-A10 mature virion | 分子名称: | SPHINGOSINE, VP1, VP2, ... | 著者 | Chen, J.H, Ye, X.H, Cong, Y, Huang, Z. | 登録日 | 2018-10-06 | 公開日 | 2018-11-07 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | 主引用文献 | Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses. Cell Discov, 5, 2019
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6IIO
| Cryo-EM structure of CV-A10 native empty particle | 分子名称: | VP0, VP1, VP3 | 著者 | Chen, J.H, Ye, X.H, Cong, Y, Huang, Z. | 登録日 | 2018-10-07 | 公開日 | 2018-11-07 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses. Cell Discov, 5, 2019
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2H2A
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2H29
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6FWB
| Crystal structure of Mat2A at 1.79 Angstron resolution | 分子名称: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | 著者 | Zhou, A, Wei, Z, Bai, J, Wang, H. | 登録日 | 2018-03-06 | 公開日 | 2019-03-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes. Ebiomedicine, 39, 2019
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8KFX
| Gi bound CCR8 complex with nonpeptide agonist LMD-009 | 分子名称: | 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Jiang, S, Lin, X, Wu, L.J, Xu, F. | 登録日 | 2023-08-16 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | 主引用文献 | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8. Sci Adv, 10, 2024
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8KFY
| Gi bound CCR8 complex with nonpeptide agonist ZK 756326 | 分子名称: | 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Jiang, S, Lin, X, Wu, L.J, Xu, F. | 登録日 | 2023-08-16 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | 主引用文献 | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8. Sci Adv, 10, 2024
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8KFZ
| Gi bound CCR8 in ligand free state | 分子名称: | C-C chemokine receptor type 8,LgBiT fusion protein,Recombinant Human Rhinovirus, 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 | Jiang, S, Lin, X, Wu, L.J, Xu, F. | 登録日 | 2023-08-16 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8. Sci Adv, 10, 2024
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8WW2
| GPR3/Gs complex | 分子名称: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | He, Y, Xiong, Y. | 登録日 | 2023-10-24 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | 主引用文献 | Identification of oleic acid as an endogenous ligand of GPR3. Cell Res., 34, 2024
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8SAI
| Cryo-EM structure of GPR34-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 | Yong, X.H, Zhao, C, Yan, W, Shao, Z.H. | 登録日 | 2023-04-01 | 公開日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
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3GW5
| Crystal structure of human renin complexed with a novel inhibitor | 分子名称: | (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, Z, McKeever, B.M. | 登録日 | 2009-03-31 | 公開日 | 2009-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. Bioorg.Med.Chem.Lett., 19, 2009
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7YW9
| Crystal structure of the triple mutant CmnC-L136Q,S138G,D249Y in complex with alpha-KG | 分子名称: | ACETATE ION, CmnC, D-ARGININE, ... | 著者 | Huang, S.J, Hsiao, Y.H, Lin, E.C, Hsiao, P.Y, Chang, C.Y. | 登録日 | 2022-08-22 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer. Front Chem, 10, 2022
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5H7P
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