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3IDP
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BU of 3idp by Molmil
B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor
分子名称: B-Raf proto-oncogene serine/threonine-protein kinase, N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
著者Whittington, D.A, Epstein, L.F.
登録日2009-07-21
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Selective inhibitors of the mutant B-raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.
J.Med.Chem., 52, 2009
1XUF
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TRYPSIN-BABIM-ZN+2, PH 8.2
分子名称: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN
著者Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
登録日1997-10-10
公開日1998-12-16
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUH
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TRYPSIN-KETO-BABIM-CO+2, PH 8.2
分子名称: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, COBALT (II) ION, ...
著者Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
登録日1997-10-10
公開日1998-11-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUJ
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TRYPSIN-KETO-BABIM-ZN+2, PH 8.2
分子名称: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ...
著者Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
登録日1997-10-10
公開日1998-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUI
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BU of 1xui by Molmil
TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2
分子名称: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, SODIUM ION, ...
著者Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
登録日1997-10-10
公開日1998-11-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUK
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BU of 1xuk by Molmil
TRYPSIN-BABIM-SULFATE, PH 5.9
分子名称: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, SULFATE ION, ...
著者Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
登録日1997-10-10
公開日1998-11-11
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUG
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TRYPSIN-BABIM-ZN+2, PH 8.2
分子名称: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, TRYPSIN, ...
著者Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
登録日1997-10-10
公開日1998-12-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
9AX6
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BU of 9ax6 by Molmil
Tricomplex of RMC-6236, KRAS G12D, and CypA
分子名称: (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-03-05
公開日2024-04-17
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
9BFY
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Tri-complex of Compound-12, KRAS G12C, and CypA
分子名称: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
9BG1
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Tri-complex of Compound-3, KRAS G12V, and CypA
分子名称: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
8TBF
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Tricomplex of RMC-7977, KRAS WT, and CypA
分子名称: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024

226707

件を2024-10-30に公開中

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