8TBM
| Tricomplex of RMC-7977, KRAS G12V, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase KRas, ... | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TBN
| Tricomplex of RMC-7977, KRAS G12S, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8H6D
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8H6C
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8H65
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8HF8
| Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | 分子名称: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | 著者 | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | 登録日 | 2022-11-09 | 公開日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases. J.Med.Chem., 66, 2023
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8CIJ
| CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | 分子名称: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | Musil, D, Toure, M. | 登録日 | 2023-02-09 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.821 Å) | 主引用文献 | Discovery of quinazoline HPK1 inhibitors with high cellular potency. Bioorg.Med.Chem., 92, 2023
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8CDW
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7CD9
| Crystal Structure of SETDB1 tudor domain in complexed with Compound 6 | 分子名称: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, Histone-lysine N-methyltransferase SETDB1 | 著者 | Xiong, L, Guo, Y, Mao, X, Huang, L, Wu, C, Yang, S. | 登録日 | 2020-06-19 | 公開日 | 2021-04-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7C9N
| Crystal structure of SETDB1 tudor domain in complexed with Compound 1. | 分子名称: | 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | 著者 | Guo, Y, Xiong, L, Mao, X, Yang, S. | 登録日 | 2020-06-06 | 公開日 | 2021-04-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.472 Å) | 主引用文献 | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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3WSQ
| Structure of HER2 with an Fab | 分子名称: | Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2 | 著者 | Fu, W.Y, Wang, Y.X, Zhou, L.J. | 登録日 | 2014-03-20 | 公開日 | 2015-03-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies. MAbs, 6, 2014
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5C6D
| Crystal structure of USP7 in complex with UHRF1 | 分子名称: | E3 ubiquitin-protein ligase UHRF1, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Zhang, Z.-M, Song, J. | 登録日 | 2015-06-22 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.292 Å) | 主引用文献 | An Allosteric Interaction Links USP7 to Deubiquitination and Chromatin Targeting of UHRF1. Cell Rep, 12, 2015
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6V2S
| Crystal Structure of chromodomain of MPP8 in complex with inhibitor UNC3866 | 分子名称: | M-phase phosphoprotein 8, UNC3866, UNKNOWN ATOM OR ION | 著者 | Liu, Y, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2019-11-25 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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8FLK
| Cryo-EM structure of STING oligomer bound to cGAMP and NVS-STG2 | 分子名称: | 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, cGAMP | 著者 | Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y. | 登録日 | 2022-12-21 | 公開日 | 2023-11-01 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Activation of human STING by a molecular glue-like compound. Nat.Chem.Biol., 20, 2024
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8FLM
| Cryo-EM structure of STING oligomer bound to cGAMP, NVS-STG2 and C53 | 分子名称: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, ... | 著者 | Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y. | 登録日 | 2022-12-21 | 公開日 | 2023-11-01 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Activation of human STING by a molecular glue-like compound. Nat.Chem.Biol., 20, 2024
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8CVT
| Human 19S-20S proteasome, state SD2 | 分子名称: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 8, 26S proteasome complex subunit SEM1, ... | 著者 | Zhao, J. | 登録日 | 2022-05-18 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CVR
| Human 20S proteasome with MG-132 | 分子名称: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | 著者 | Zhao, J. | 登録日 | 2022-05-18 | 公開日 | 2022-11-02 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CVS
| Human PA200-20S proteasome with MG-132 | 分子名称: | INOSITOL HEXAKISPHOSPHATE, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome activator complex subunit 4, ... | 著者 | Zhao, J. | 登録日 | 2022-05-18 | 公開日 | 2022-11-02 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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6V2R
| Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866 | 分子名称: | Chromobox protein homolog 7, UNC3866, UNKNOWN ATOM OR ION | 著者 | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2019-11-25 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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8WE6
| Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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 | Gao, S, Yao, X, Yan, N. | 登録日 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WEA
| Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 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 | Gao, S, Yao, X, Fan, X, Yan, N. | 登録日 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE8
| Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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 | Gao, S, Yao, X, Yan, N. | 登録日 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE9
| Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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 | Gao, S, Yao, X, Fan, X, Yan, N. | 登録日 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE7
| Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Gao, S, Yao, X, Yan, N. | 登録日 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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6V2D
| Crystal Structure of chromodomain of CDYL2 in complex with inhibitor UNC3866 | 分子名称: | Chromodomain Y-like protein 2, UNC3866, UNKNOWN ATOM OR ION | 著者 | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2019-11-22 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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