3MK3
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![BU of 3mk3 by Molmil](/molmil-images/mine/3mk3) | Crystal structure of Lumazine synthase from Salmonella typhimurium LT2 | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, SULFATE ION | Authors: | Kumar, P, Singh, M, Karthikeyan, S. | Deposit date: | 2010-04-14 | Release date: | 2011-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.569 Å) | Cite: | Crystal structure analysis of icosahedral lumazine synthase from Salmonella typhimurium, an antibacterial drug target. Acta Crystallogr.,Sect.D, 67, 2011
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3NQ4
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![BU of 3nq4 by Molmil](/molmil-images/mine/3nq4) | |
1WBC
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![BU of 1wbc by Molmil](/molmil-images/mine/1wbc) | CRYSTALLIZATION AND PRELIMINARY X-RAY STUDIES OF PSOPHOCARPIN B1, A CHYMOTRYPSIN INHIBITOR FROM WINGED BEAN SEEDS | Descriptor: | CHYMOTRYPSIN INHIBITOR (WCI) | Authors: | Dattagupta, J.K, Podder, A, Chakrabarti, C, Sen, U, Dutta, S.K, Singh, M. | Deposit date: | 1995-11-30 | Release date: | 1996-04-03 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of a Kunitz-type chymotrypsin from winged bean seeds at 2.95 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
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8UVU
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![BU of 8uvu by Molmil](/molmil-images/mine/8uvu) | |
8VV3
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![BU of 8vv3 by Molmil](/molmil-images/mine/8vv3) | |
8UVT
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![BU of 8uvt by Molmil](/molmil-images/mine/8uvt) | |
1FMZ
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![BU of 1fmz by Molmil](/molmil-images/mine/1fmz) | CRYSTAL STRUCTURE OF A MUTANT WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN, N14K. | Descriptor: | CHYMOTRYPSIN INHIBITOR 3, SULFATE ION | Authors: | Dattagupta, J.K, Chakrabarti, C, Ravichandran, S, Dasgupta, J, Ghosh, S. | Deposit date: | 2000-08-19 | Release date: | 2001-02-19 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp. PROTEIN ENG., 14, 2001
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9AX6
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![BU of 9ax6 by Molmil](/molmil-images/mine/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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1FG4
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![BU of 1fg4 by Molmil](/molmil-images/mine/1fg4) | STRUCTURE OF TRYPAREDOXIN II | Descriptor: | TRYPAREDOXIN II | Authors: | Hofmann, B, Budde, H, Bruns, K, Guerrero, S.A, Kalisz, H.M, Menge, U, Montemartini, M, Nogoceke, E, Steinert, P, Wissing, J.B, Flohe, L, Hecht, H.J. | Deposit date: | 2000-07-28 | Release date: | 2001-04-25 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of tryparedoxins revealing interaction with trypanothione. Biol.Chem., 382, 2001
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1EZK
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![BU of 1ezk by Molmil](/molmil-images/mine/1ezk) | Crystal structure of recombinant tryparedoxin I | Descriptor: | TRYPAREDOXIN I | Authors: | Hofmann, B, Guerrero, S.A, Kalisz, H.M, Menge, U, Nogoceke, E, Montemartini, M, Singh, M, Flohe, L, Hecht, H.J. | Deposit date: | 2000-05-11 | Release date: | 2000-05-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of tryparedoxins revealing interaction with trypanothione. Biol.Chem., 382, 2001
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4TVM
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![BU of 4tvm by Molmil](/molmil-images/mine/4tvm) | |
4TVO
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![BU of 4tvo by Molmil](/molmil-images/mine/4tvo) | |
8QTH
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![BU of 8qth by Molmil](/molmil-images/mine/8qth) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | Descriptor: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTG
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![BU of 8qtg by Molmil](/molmil-images/mine/8qtg) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTJ
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![BU of 8qtj by Molmil](/molmil-images/mine/8qtj) | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTK
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![BU of 8qtk by Molmil](/molmil-images/mine/8qtk) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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4XCJ
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![BU of 4xcj by Molmil](/molmil-images/mine/4xcj) | |
4XDM
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![BU of 4xdm by Molmil](/molmil-images/mine/4xdm) | |
4XE2
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![BU of 4xe2 by Molmil](/molmil-images/mine/4xe2) | |
4XKA
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![BU of 4xka by Molmil](/molmil-images/mine/4xka) | |
4XD8
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![BU of 4xd8 by Molmil](/molmil-images/mine/4xd8) | |
4XKO
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![BU of 4xko by Molmil](/molmil-images/mine/4xko) | |
4WBC
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![BU of 4wbc by Molmil](/molmil-images/mine/4wbc) | 2.13 A STRUCTURE OF A KUNITZ-TYPE WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN | Descriptor: | PROTEIN (CHYMOTRYPSIN INHIBITOR), SULFATE ION | Authors: | Ravichandran, S, Sen, U, Chakrabarti, C, Dattagupta, J.K. | Deposit date: | 1999-03-04 | Release date: | 1999-03-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.138 Å) | Cite: | Cryocrystallography of a Kunitz-type serine protease inhibitor: the 90 K structure of winged bean chymotrypsin inhibitor (WCI) at 2.13 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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8TBF
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![BU of 8tbf by Molmil](/molmil-images/mine/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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8G9P
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![BU of 8g9p by Molmil](/molmil-images/mine/8g9p) | Tricomplex of RMC-4998, KRAS G12C, and CypA | Descriptor: | (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-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]-3-methylbutanamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2023-02-21 | Release date: | 2023-08-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS. Science, 381, 2023
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