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1QHM
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BU of 1qhm by Molmil
ESCHERICHIA COLI PYRUVATE FORMATE LYASE LARGE DOMAIN
Descriptor: PYRUVATE FORMATE-LYASE
Authors:Leppanen, V.-M, Merckel, M.C, Ollis, D.L, Wong, K.K, Kozarich, J.W, Goldman, A.
Deposit date:1999-05-19
Release date:2000-05-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyruvate formate lyase is structurally homologous to type I ribonucleotide reductase.
Structure Fold.Des., 7, 1999
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W.
Deposit date:2021-01-21
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
6DUK
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BU of 6duk by Molmil
EGFR with an allosteric inhibitor
Descriptor: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Park, E, Eck, M.J.
Deposit date:2018-06-21
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Single and Dual Targeting of Mutant EGFR with an Allosteric Inhibitor.
Cancer Discov, 9, 2019
6HHO
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BU of 6hho by Molmil
Crystal structure of RIP1 kinase in complex with GSK547
Descriptor: 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
Authors:Thorpe, J.H, Harris, P.A.
Deposit date:2018-08-28
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
5V9L
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BU of 5v9l by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Westover, K, Lu, J.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
5V9O
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BU of 5v9o by Molmil
KRAS G12C inhibitor
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Westover, K, Lu, J.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
4Z16
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BU of 4z16 by Molmil
Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide
Descriptor: N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide, Tyrosine-protein kinase JAK3
Authors:McNally, R, Tan, L, Gray, N.S, Eck, M.J.
Deposit date:2015-03-26
Release date:2016-02-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of Selective Covalent Janus Kinase 3 Inhibitors.
J.Med.Chem., 58, 2015
5D41
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BU of 5d41 by Molmil
EGFR kinase domain in complex with mutant selective allosteric inhibitor
Descriptor: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Yun, C.-H, Park, E, Eck, M.J.
Deposit date:2015-08-07
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors.
Nature, 534, 2016
3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2009-08-05
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009

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