7XMK
 
 | | Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | | 分子名称: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | 著者 | Zhang, L, Wang, Y, Li, Y, Yang, S. | | 登録日 | 2022-04-26 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.376 Å) | | 主引用文献 | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases.
J.Med.Chem., 67, 2024
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7VTY
 | | de novo designed protein | | 分子名称: | de novo designed protein | | 著者 | Zhang, L. | | 登録日 | 2021-10-31 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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7VQL
 | | de novo designed based on 1r26 | | 分子名称: | AMMONIUM ION, GLYCEROL, de novo designed protein | | 著者 | Zhang, L. | | 登録日 | 2021-10-20 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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7VQV
 | | de novo design based on 1r26 | | 分子名称: | GLYCEROL, de novo designed protein | | 著者 | Zhang, L. | | 登録日 | 2021-10-20 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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7VU4
 | | de novo design based on 1r26 | | 分子名称: | de novo design protein | | 著者 | Zhang, L. | | 登録日 | 2021-11-01 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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7VQW
 | | de novo designed protein based on 1r26 | | 分子名称: | de novo designed protein | | 著者 | Zhang, L. | | 登録日 | 2021-10-20 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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1EZ0
 | | CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI. | | 分子名称: | ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A. | | 登録日 | 2000-05-09 | | 公開日 | 2000-05-24 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity.
Biochem.J., 349, 2000
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | 登録日 | 2018-05-06 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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7OSH
 | | ABC Transporter complex NosDFYL, R-domain 2 | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSJ
 | | ABC Transporter complex NosDFYL, membrane anchor | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSG
 | | ABC Transporter complex NosDFYL, consensus refinement | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSI
 | | ABC Transporter complex NosDFYL, R-domain 3 | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSF
 | | ABC Transporter complex NosDFYL, R-domain 1 | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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1QCR
 | | CRYSTAL STRUCTURE OF BOVINE MITOCHONDRIAL CYTOCHROME BC1 COMPLEX, ALPHA CARBON ATOMS ONLY | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, UBIQUINOL CYTOCHROME C OXIDOREDUCTASE | | 著者 | Xia, D, Yu, C.A, Kim, H, Xia, J.Z, Kachurin, A, Zhang, L, Yu, L, Deisenhofer, J. | | 登録日 | 1997-05-17 | | 公開日 | 1998-10-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of the cytochrome bc1 complex from bovine heart mitochondria.
Science, 277, 1997
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7CHO
 | | Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ... | | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | 登録日 | 2020-07-06 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.561 Å) | | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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7CHS
 | | Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ... | | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | 登録日 | 2020-07-06 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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7CHP
 | | Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ... | | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | 登録日 | 2020-07-06 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.357 Å) | | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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7CDI
 | | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
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7CDJ
 | | Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ... | | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R. | | 登録日 | 2020-06-19 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.396 Å) | | 主引用文献 | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
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7CAL
 | | Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Potassium channel KAT1 | | 著者 | Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L. | | 登録日 | 2020-06-09 | | 公開日 | 2020-07-29 | | 最終更新日 | 2020-11-18 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis.
Cell Res., 30, 2020
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4KFP
 | | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X. | | 登録日 | 2013-04-27 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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7C81
 | | E30 F-particle in complex with 6C5 | | 分子名称: | Heavy chain, Light chain, SPHINGOSINE, ... | | 著者 | Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X. | | 登録日 | 2020-05-28 | | 公開日 | 2020-07-29 | | 最終更新日 | 2020-09-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
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7CFM
 | | Cryo-EM structure of the P395-bound GPBAR-Gs complex | | 分子名称: | 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ... | | 著者 | Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y. | | 登録日 | 2020-06-27 | | 公開日 | 2020-09-09 | | 最終更新日 | 2020-12-02 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
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7CFN
 | | Cryo-EM structure of the INT-777-bound GPBAR-Gs complex | | 分子名称: | (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid, CHOLESTEROL, G-protein coupled bile acid receptor 1, ... | | 著者 | Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y. | | 登録日 | 2020-06-27 | | 公開日 | 2020-09-09 | | 最終更新日 | 2021-04-07 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
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7C80
 | | E30 F-particle in complex with 4B10 | | 分子名称: | Heavy chain, Light chain, SPHINGOSINE, ... | | 著者 | Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X. | | 登録日 | 2020-05-28 | | 公開日 | 2020-07-29 | | 最終更新日 | 2020-09-16 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
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