5TQH
 
 | | IDH1 R132H mutant in complex with IDH889 | | 分子名称: | (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | 著者 | Xie, X, Kulathila, R. | | 登録日 | 2016-10-24 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.
ACS Med Chem Lett, 8, 2017
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9CUO
 | | Crystal structure of CRBN with compound 3 | | 分子名称: | (3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, Protein cereblon, ... | | 著者 | Zheng, X, Ji, N, Campbell, V, Slavin, A, Zhu, X, Chen, D, Rong, H, Enerson, B, Mayo, M, Sharma, K, Browne, C.M, Klaus, C.R, Li, H, Massa, G, McDonald, A.A, Shi, Y, Sintchak, M, Skouras, S, Walther, D.M, Yuan, K, Zhang, Y, Kelleher, J, Guang, L, Luo, X, Mainolfi, N, Weiss, M.M. | | 登録日 | 2024-07-26 | | 公開日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases.
J.Med.Chem., 2024
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8OUS
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19 | | 分子名称: | (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol, Mitogen-activated protein kinase kinase kinase 12 | | 著者 | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | 登録日 | 2023-04-24 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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8OUR
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16 | | 分子名称: | 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 | | 著者 | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | 登録日 | 2023-04-24 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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8OUT
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22 | | 分子名称: | (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12 | | 著者 | Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B. | | 登録日 | 2023-04-24 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.935 Å) | | 主引用文献 | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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4DDS
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4DE0
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4DE2
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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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6MRR
 | | De novo designed protein Foldit1 | | 分子名称: | Foldit1 | | 著者 | Koepnick, B, Bick, M.J, Estep, R.D, Kleinfelter, S, Wei, L, Baker, D. | | 登録日 | 2018-10-15 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | De novo protein design by citizen scientists.
Nature, 570, 2019
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8SEB
 | | Cryo-EM structure of a single loaded human UBA7-UBE2L6-ISG15 adenylate complex | | 分子名称: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | | 著者 | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | | 登録日 | 2023-04-08 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
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8SV8
 | | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex from a composite map | | 分子名称: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | | 著者 | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | | 登録日 | 2023-05-15 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
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8SE9
 | | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 2) | | 分子名称: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | | 著者 | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | | 登録日 | 2023-04-08 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
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8SEA
 | | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 1) | | 分子名称: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | | 著者 | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | | 登録日 | 2023-04-08 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
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6MRS
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6NUK
 | | De novo designed protein Ferredog-Diesel | | 分子名称: | Ferredog-Diesel | | 著者 | Koepnick, B, Bick, M.J, DiMaio, F, Norgard-Solano, T, Baker, D. | | 登録日 | 2019-02-01 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | De novo protein design by citizen scientists.
Nature, 570, 2019
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7X08
 | | S protein of SARS-CoV-2 in complex with 2G1 | | 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, LINOLEIC ACID, ... | | 著者 | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | 登録日 | 2022-02-21 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
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5CI6
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2MA4
 | | Solution NMR Structure of yahO protein from Salmonella typhimurium, Northeast Structural Genomics Consortium (NESG) Target StR106 | | 分子名称: | Putative periplasmic protein | | 著者 | Eletsky, A, Zhang, Q, Liu, G, Wang, H, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-06-27 | | 公開日 | 2013-08-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
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2HC5
 | | Solution NMR Structure of Protein yvyC from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR482. | | 分子名称: | Hypothetical protein yvyC | | 著者 | Eletsky, A, Liu, G, Atreya, H.S, Sukumaran, D.K, Wang, D, Cunningham, K, Janjua, H, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2006-06-15 | | 公開日 | 2006-08-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of protein YvyC from Bacillus subtilis reveals unexpected structural similarity between two PFAM families.
Proteins, 76, 2009
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7ESI
 | | Crystal structure of the collagenase unit of a Vibrio collagenase from Vibrio harveyi VHJR7 at 1. 8 angstrom resolution. | | 分子名称: | CALCIUM ION, Collagenase unit (CU), Peptide P1, ... | | 著者 | Cao, H.Y, Wang, Y, Peng, M, Zhang, Y.Z. | | 登録日 | 2021-05-11 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-02-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of Vibrio collagenase VhaC provides insight into the mechanism of bacterial collagenolysis.
Nat Commun, 13, 2022
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7JVN
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1TE7
 | | Solution NMR Structure of Protein yqfB from Escherichia coli. Northeast Structural Genomics Consortium Target ET99 | | 分子名称: | Hypothetical UPF0267 protein yqfB | | 著者 | Atreya, H.S, Shen, Y, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2004-05-24 | | 公開日 | 2005-01-04 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | G-Matrix Fourier Transform NOESY-Based Protocol for High-Quality Protein Structure Determination
J.Am.Chem.Soc., 127, 2005
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6IMC
 | | Crystal Structure of ALKBH1 in complex with Mn(II) and N-Oxalylglycine | | 分子名称: | MANGANESE (II) ION, N-OXALYLGLYCINE, Nucleic acid dioxygenase ALKBH1 | | 著者 | Zhang, M, Yang, S, Zhao, W, Li, H. | | 登録日 | 2018-10-22 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA.
Cell Res., 30, 2020
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