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PDB: 62 件
7RPZ
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BU of 7rpz by Molmil
KRAS G12D in complex with MRTX-1133
分子名称: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-05
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
7RT5
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BU of 7rt5 by Molmil
Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine) bound
分子名称: 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
7RT3
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BU of 7rt3 by Molmil
Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound
分子名称: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
7RT1
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BU of 7rt1 by Molmil
Crystal Structure of KRAS G12D with compound 15 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound
分子名称: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
7RT2
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BU of 7rt2 by Molmil
Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound
分子名称: 1,2-ETHANEDIOL, 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GLYCEROL, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
7RT4
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BU of 7rt4 by Molmil
KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine)
分子名称: 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
6L08
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BU of 6l08 by Molmil
Crystal structure of Arabidopsis cytidine deaminase
分子名称: Cytidine deaminase 1, SULFATE ION
著者Jia, W, Xiao, W, Lin, L.
登録日2019-09-26
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.999 Å)
主引用文献Crystal structure of Arabidopsis thaliana cytidine deaminase.
Biochem.Biophys.Res.Commun., 529, 2020
2HLW
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BU of 2hlw by Molmil
Solution Structure of the Human Ubiquitin-conjugating Enzyme Variant Uev1a
分子名称: Ubiquitin-conjugating enzyme E2 variant 1
著者Hau, D.D, Lewis, M.J, Saltibus, L.F, Pastushok, L, Xiao, W, Spyracopoulos, L.
登録日2006-07-10
公開日2006-09-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure and interactions of the ubiquitin-conjugating enzyme variant human uev1a: implications for enzymatic synthesis of polyubiquitin chains(,).
Biochemistry, 45, 2006
2JMD
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BU of 2jmd by Molmil
Solution Structure of the Ring Domain of Human TRAF6
分子名称: TNF receptor-associated factor 6, ZINC ION
著者Mercier, P, Lewis, M.J, Hau, D.D, Saltibus, L.F, Xiao, W, Spyracopoulos, L.
登録日2006-11-02
公開日2007-04-10
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Structure, interactions, and dynamics of the RING domain from human TRAF6
Protein Sci., 16, 2007
1ZGU
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BU of 1zgu by Molmil
Solution structure of the human Mms2-Ubiquitin complex
分子名称: Ubiquitin, Ubiquitin-conjugating enzyme E2 variant 2
著者Lewis, M.J, Saltibus, L.F, Hau, D.D, Xiao, W, Spyracopoulos, L.
登録日2005-04-22
公開日2006-04-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Basis for Non-Covalent Interaction Between Ubiquitin and the Ubiquitin Conjugating Enzyme Variant Human MMS2.
J.Biomol.Nmr, 34, 2006
7XF3
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BU of 7xf3 by Molmil
The structure of HLA-B*1501/BM58-66AF9
分子名称: 9-mer peptide from Matrix protein 1, Beta-2-microglobulin, MHC class I antigen
著者Zhao, Y.Z, Xiao, W.L, Wu, Y.N, Fan, W.F, Yue, C, Zhang, Q.X, Zhang, D.N, Yuan, X.J, Yao, S.J, Liu, S, Li, M, Wang, P.Y, Zhang, H.J, Zhang, J, Zhao, M, Zheng, X.Q, Liu, W.J, Gao, G.F, Liu, W.L.
登録日2022-03-31
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Parallel T Cell Immunogenic Regions in Influenza B and A Viruses with Distinct Nuclear Export Signal Functions: The Balance between Viral Life Cycle and Immune Escape.
J Immunol., 210, 2023
8IB0
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BU of 8ib0 by Molmil
The amyloid structure of mouse RIPK1 RHIM-containing domain by solid-state NMR
分子名称: Receptor-interacting serine/threonine-protein kinase 1
著者Liu, J, Xialian, W.
登録日2023-02-09
公開日2023-03-22
最終更新日2024-08-28
実験手法SOLID-STATE NMR
主引用文献The structure of mouse RIPK1 RHIM-containing domain as a homo-amyloid and in RIPK1/RIPK3 complex.
Nat Commun, 15, 2024
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