3DCX
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3H41
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7AMF
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7AMB
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2GVI
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7MCK
| Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18 | Descriptor: | N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R. | Deposit date: | 2021-04-02 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors. Rsc Med Chem, 12, 2021
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7PJM
| Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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7PJN
| Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | Descriptor: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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8JVL
| Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T | Authors: | Anantharajan, J, Baburajendran, N. | Deposit date: | 2023-06-28 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer. Biochem.Biophys.Res.Commun., 689, 2023
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8JVE
| Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer | Descriptor: | 1,2-ETHANEDIOL, 1-(3-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T | Authors: | Anantharajan, J, Baburajendran, N. | Deposit date: | 2023-06-28 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer. Biochem.Biophys.Res.Commun., 689, 2023
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8JVD
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8JUC
| Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening | Descriptor: | 1,2-ETHANEDIOL, 7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one, Ubiquitin-conjugating enzyme E2 T | Authors: | Anantharajan, J, Baburajendran, N. | Deposit date: | 2023-06-26 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening. Protein Sci., 33, 2024
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2FG0
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2EVR
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2FNO
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2HBW
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1VKB
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1VKY
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5JHL
| Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody | Descriptor: | Antibody Heavy chain, antibody Light chain, envelope protein | Authors: | Dai, L, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2016-04-21 | Release date: | 2016-05-11 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody. Cell Host Microbe, 19, 2016
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5JHM
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1VLR
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1VJ1
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1VQ0
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1VJO
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1VK3
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