5UAP
| Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | Descriptor: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2016-12-19 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
|
|
5UFG
| Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide | Descriptor: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2017-01-04 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
|
|
5GJ6
| |
6K9R
| Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Li, C, Wan, Q. | Deposit date: | 2019-06-17 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography. Protein J., 39, 2020
|
|
5H3X
| |
5GGZ
| Crystal structure of novel inhibitor bound with Hsp90 | Descriptor: | Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone | Authors: | Chen, T.T, Li, J, Xu, Y.C. | Deposit date: | 2016-06-16 | Release date: | 2017-03-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90 J. Med. Chem., 59, 2016
|
|
6MNL
| |
5H3W
| |
6K9O
| Crystal Structure Analysis of Protein | Descriptor: | Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION | Authors: | Li, C, Wan, Q. | Deposit date: | 2019-06-17 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography. Protein J., 39, 2020
|
|
5E58
| Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-10-08 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism. Mol.Pharmacol., 89, 2016
|
|
5EM4
| Structure of CYP2B4 F244W in a ligand free conformation | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-11-05 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
|
|
5XXI
| Crystal structure of CYP2C9 in complex with multiple losartan molecules | Descriptor: | Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | Deposit date: | 2017-07-04 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry, 56, 2017
|
|
5YMU
| |
5YSX
| Structure of P domain of GII.2 Noroviruses | Descriptor: | VP1 | Authors: | Duan, Z, Ao, Y. | Deposit date: | 2017-11-16 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.202 Å) | Cite: | Genetic Analysis of Reemerging GII.P16-GII.2 Noroviruses in 2016-2017 in China. J. Infect. Dis., 218, 2018
|
|
7FC3
| structure of NL63 receptor-binding domain complexed with horse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Wang, X.Q, Ge, J.W, Lan, J. | Deposit date: | 2021-07-13 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2. Structure, 30, 2022
|
|
7FAE
| S protein of SARS-CoV-2 in complex bound with P36-5D2(state2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P36-5D2 heavy chain, ... | Authors: | Zhang, L, Wang, X, Shan, S, Zhang, S. | Deposit date: | 2021-07-06 | Release date: | 2021-12-22 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants. Front Immunol, 12, 2021
|
|
7FAF
| S protein of SARS-CoV-2 in complex bound with P36-5D2 (state1) | Descriptor: | P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein | Authors: | Zhang, L, Wang, X, Zhang, S, Shan, S. | Deposit date: | 2021-07-06 | Release date: | 2021-12-22 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants. Front Immunol, 12, 2021
|
|
5YMT
| |
5YMS
| |
7FC5
| Crystal structure of SARS-CoV-2 RBD and horse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1 | Authors: | Wang, X.Q, Lan, J, Ge, J.W. | Deposit date: | 2021-07-13 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.894 Å) | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2. Structure, 30, 2022
|
|
7FC6
| Crystal structure of SARS-CoV RBD and horse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Wang, X.Q, Lan, J, Ge, J.W. | Deposit date: | 2021-07-13 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2. Structure, 30, 2022
|
|
5ZHG
| |
7F29
| |
5X24
| Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | Deposit date: | 2017-01-30 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry, 56, 2017
|
|
5WQP
| Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II) | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ... | Authors: | Li, S, Wang, Y, Bartlam, M. | Deposit date: | 2016-11-27 | Release date: | 2017-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1. FEBS Lett., 591, 2017
|
|