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PDB: 7 件

5WIE
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BU of 5wie by Molmil
Crystal structure of a Kv1.2-2.1 chimera K+ channel V406W mutant in an inactivated state
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
著者Pau, V, Zhou, Y, Ramu, Y, Xu, Y, Lu, Z.
登録日2017-07-19
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of an inactivated mutant mammalian voltage-gated K(+) channel.
Nat. Struct. Mol. Biol., 24, 2017
8D6E
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BU of 8d6e by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306
分子名称: (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
8D6D
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BU of 8d6d by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39
分子名称: (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
8D6C
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BU of 8d6c by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28
分子名称: (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
8D6F
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BU of 8d6f by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41
分子名称: (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION
著者Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
8E23
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BU of 8e23 by Molmil
Human DNA polymerase theta in complex with allosteric inhibitor
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), DNA (5'-D(*GP*C*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ...
著者Mader, P, Pau, V.P.T, Sicheri, F.
登録日2022-08-13
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
8E24
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BU of 8e24 by Molmil
Human DNA polymerase theta in complex with allosteric inhibitor
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide, DNA, ...
著者Mader, P, Pau, V.P.T, Sicheri, F.
登録日2022-08-13
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022

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件を2024-05-22に公開中

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