3IDP
 
 | | B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor | | Descriptor: | 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 | | Authors: | Whittington, D.A, Epstein, L.F. | | Deposit date: | 2009-07-21 | | Release date: | 2009-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Selective inhibitors of the mutant B-raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.
J.Med.Chem., 52, 2009
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1XUF
 | | TRYPSIN-BABIM-ZN+2, PH 8.2 | | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN | | Authors: | 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. | | Deposit date: | 1997-10-10 | | Release date: | 1998-12-16 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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1XUH
 | | TRYPSIN-KETO-BABIM-CO+2, PH 8.2 | | Descriptor: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, COBALT (II) ION, ... | | Authors: | 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. | | Deposit date: | 1997-10-10 | | Release date: | 1998-11-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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1XUJ
 | | TRYPSIN-KETO-BABIM-ZN+2, PH 8.2 | | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ... | | Authors: | 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. | | Deposit date: | 1997-10-10 | | Release date: | 1998-11-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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1XUK
 | | TRYPSIN-BABIM-SULFATE, PH 5.9 | | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, SULFATE ION, ... | | Authors: | 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. | | Deposit date: | 1997-10-10 | | Release date: | 1998-11-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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1XUI
 | | TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2 | | Descriptor: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, SODIUM ION, ... | | Authors: | 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. | | Deposit date: | 1997-10-10 | | Release date: | 1998-11-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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1XUG
 | | TRYPSIN-BABIM-ZN+2, PH 8.2 | | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, TRYPSIN, ... | | Authors: | 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. | | Deposit date: | 1997-10-10 | | Release date: | 1998-12-16 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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9AX6
 | | Tricomplex of RMC-6236, KRAS G12D, and CypA | | Descriptor: | (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, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-03-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
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9BFY
 | | Tri-complex of Compound-12, KRAS G12C, and CypA | | Descriptor: | (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, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-04-18 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
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9BG1
 | | Tri-complex of Compound-3, KRAS G12V, and CypA | | Descriptor: | (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, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-04-18 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
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8TBF
 | | Tricomplex of RMC-7977, KRAS WT, and CypA | | Descriptor: | (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, ... | | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-06-28 | | Release date: | 2024-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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