7JQ4
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7JQ1
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7KPT
| Crystal structure of CtdE in complex with FAD and substrate 4 | Descriptor: | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Zhao, B, Hu, L. | Deposit date: | 2020-11-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins. Nat Commun, 12, 2021
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7KPQ
| Crystal structure of CtdE in complex with FAD | Descriptor: | FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Zhao, B, Hu, L. | Deposit date: | 2020-11-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins. Nat Commun, 12, 2021
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7JPZ
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1 | Descriptor: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7JQ3
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7JQ5
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8 | Descriptor: | 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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3MBD
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3N58
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3OCA
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7LV3
| Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state | Descriptor: | 1,2-ETHANEDIOL, Isoform Beta of cGMP-dependent protein kinase 1, MANGANESE (II) ION, ... | Authors: | Sharma, R, Lying, Q, Casteel, D, Kim, C. | Deposit date: | 2021-02-23 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | An auto-inhibited state of protein kinase G and implications for selective activation. Elife, 11, 2022
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7MBJ
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4S2M
| Crystal Structure of OXA-163 complexed with iodide in the active site | Descriptor: | Beta-lactamase, IODIDE ION | Authors: | Stojanoski, V, Hu, L, Palzkill, T.G, Prasad, B. | Deposit date: | 2015-01-21 | Release date: | 2015-07-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens. Biochemistry, 54, 2015
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3NFW
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4OPA
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8FBO
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8FBJ
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4Y0V
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8FBI
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8FBK
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8FBN
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8FBT
| Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Staker, B.L, Fenwick, M.K, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-11-30 | Release date: | 2023-05-31 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of and Structural Insights into Hit Compounds Targeting N -Myristoyltransferase for Cryptosporidium Drug Development. Acs Infect Dis., 9, 2023
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8FBM
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8FBU
| Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and Compound-2 | Descriptor: | (2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Staker, B.L, Fenwick, M.K, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-11-30 | Release date: | 2023-05-31 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of and Structural Insights into Hit Compounds Targeting N -Myristoyltransferase for Cryptosporidium Drug Development. Acs Infect Dis., 9, 2023
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3L3B
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