4RQK
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4RRV
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5Y3Q
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5Y3E
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6L48
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6L47
| Structure of the human sterol O-acyltransferase 1 in complex with CI-976 | Descriptor: | 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide, CHOLESTEROL, Sterol O-acyltransferase 1 | Authors: | Chen, L, Guan, C, Niu, Y. | Deposit date: | 2019-10-16 | Release date: | 2020-04-29 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into the inhibition mechanism of human sterol O-acyltransferase 1 by a competitive inhibitor. Nat Commun, 11, 2020
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7C4H
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5XU8
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5XVE
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5EAJ
| Crystal structure of DHFR in 0% Isopropanol | Descriptor: | CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cuneo, M.J, Agarwal, P.K. | Deposit date: | 2015-10-16 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Modulating Enzyme Activity by Altering Protein Dynamics with Solvent. Biochemistry, 57, 2018
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5UJX
| Crystal structure of DHFR in 20% Isopropanol | Descriptor: | CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cuneo, M.J, Agarwal, P.K. | Deposit date: | 2017-01-19 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulating Enzyme Activity by Altering Protein Dynamics with Solvent. Biochemistry, 57, 2018
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7LTJ
| Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040 | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-02-19 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. J.Chem.Inf.Model., 62, 2022
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