6M1H
 
 | | CryoEM structure of human PAC1 receptor in complex with maxadilan | | 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(s) subunit alpha isoforms short, ... | | 著者 | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | | 登録日 | 2020-02-26 | | 公開日 | 2020-03-11 | | 最終更新日 | 2020-05-27 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
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8HIF
 | | One asymmetric unit of Singapore grouper iridovirus capsid | | 分子名称: | Major capsid protein, Penton protein (VP14), VP137, ... | | 著者 | Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F. | | 登録日 | 2022-11-20 | | 公開日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly.
Nat Commun, 14, 2023
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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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4JWR
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7UB5
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7UB6
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7UB0
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6LZ3
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7THT
 | | CryoEM structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1042 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1042 heavy chain, ... | | 著者 | Manne, K, May, A, Acharya, P. | | 登録日 | 2022-01-12 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-04-12 | | 実験手法 | ELECTRON MICROSCOPY (3.42 Å) | | 主引用文献 | Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
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7TL1
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7TL9
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4REY
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6OQX
 | | Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator | | 分子名称: | (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | Mays, S.G, Ortlund, E.A. | | 登録日 | 2019-04-29 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | | 主引用文献 | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
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6OR1
 | | Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator | | 分子名称: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | Mays, S.G, Ortlund, E.A. | | 登録日 | 2019-04-29 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.174 Å) | | 主引用文献 | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
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6OQY
 | | Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator | | 分子名称: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | Mays, S.G, Ortlund, E.A. | | 登録日 | 2019-04-29 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
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5KQZ
 | | Protease E35D-CaP2 | | 分子名称: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KKN
 | | Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630 | | 分子名称: | 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide, Acetyl-CoA carboxylase 2 | | 著者 | Wang, R, Paul, D, Tong, L. | | 登録日 | 2016-06-22 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5KQY
 | | Protease E35D-DRV | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease E35D-DRV | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KR1
 | | Protease PR5-DRV | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KQX
 | | Protease E35D-SQV | | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KR0
 | | Protease E35D-APV | | 分子名称: | GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KZI
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5KR2
 | | Protease PR5-SQV | | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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6T7P
 | | human plasmakallikrein protease domain in complex with active site directed inhibitor | | 分子名称: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | 著者 | Renatus, M. | | 登録日 | 2019-10-22 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.416 Å) | | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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6TS5
 | | Coagulation factor XI protease domain in complex with active site inhibitor | | 分子名称: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | | 著者 | Renatus, M, Schiering, N. | | 登録日 | 2019-12-20 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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