5YMS
 
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5ZHG
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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
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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
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5ZH6
 | | Crystal structure of Parvalbumin SPV-II of Mustelus griseus | | Descriptor: | CALCIUM ION, Parvalbumin SPV-II, SULFATE ION | | Authors: | Yang, R.Q, Chen, Y.L, Jin, T.C, Cao, M.J. | | Deposit date: | 2018-03-11 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Purification, Characterization, and Crystal Structure of Parvalbumins, the Major Allergens in Mustelus griseus.
J. Agric. Food Chem., 66, 2018
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5ZHO
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5ZGM
 | | Crystal Structure of Parvalbumin SPVI, the Major Allergens in Mustelus griseus | | Descriptor: | CALCIUM ION, Parvalbumin SPVI, SULFATE ION | | Authors: | Yang, R.Q, Chen, Y.L, Jin, T.C, Cao, M.J. | | Deposit date: | 2018-03-09 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Purification, Characterization, and Crystal Structure of Parvalbumins, the Major Allergens in Mustelus griseus.
J. Agric. Food Chem., 66, 2018
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2GA2
 | | h-MetAP2 complexed with A193400 | | Descriptor: | 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | | Authors: | Park, C. | | Deposit date: | 2006-03-07 | | Release date: | 2007-03-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties.
Bioorg.Med.Chem.Lett., 16, 2006
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2DDY
 | | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | | Descriptor: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ... | | Authors: | Zheng, X.H, Ou, L. | | Deposit date: | 2006-02-06 | | Release date: | 2007-02-06 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
to be published
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8HUG
 | | F1 in complex with CRM1-Ran-RanBP1 | | Descriptor: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2022-12-23 | | Release date: | 2023-12-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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8HUF
 | | B28 in complex with CRM1-Ran-RanBP1 | | Descriptor: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2022-12-23 | | Release date: | 2023-12-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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7TFR
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | | Descriptor: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-07 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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8GJK
 | | Multi-drug efflux pump RE-CmeB bound with ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Efflux pump membrane transporter | | Authors: | Zhang, Z. | | Deposit date: | 2023-03-16 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
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8GJL
 | | multi-drug efflux pump RE-CmeB bound with Ciprofloxacin | | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, Efflux pump membrane transporter | | Authors: | Zhang, Z. | | Deposit date: | 2023-03-16 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
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8GJJ
 | | Multi-drug efflux pump RE-CmeB Apo form | | Descriptor: | Efflux pump membrane transporter | | Authors: | Zhang, Z. | | Deposit date: | 2023-03-15 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
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8GK4
 | | Multi-drug efflux pump RE-CmeB bound with Chloramphenicol | | Descriptor: | CHLORAMPHENICOL, Efflux pump membrane transporter | | Authors: | Zhang, Z. | | Deposit date: | 2023-03-17 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
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8GK0
 | | Multi-drug efflux pump RE-CmeB bound with Erythromycin | | Descriptor: | ERYTHROMYCIN A, Efflux pump membrane transporter | | Authors: | Zhang, Z. | | Deposit date: | 2023-03-16 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
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6JYS
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6JYO
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6K2O
 | | Structural basis of glycan recognition in globally predominant human P[8] rotavirus | | Descriptor: | Outer capsid protein VP4, SODIUM ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | | Authors: | Duan, Z, Sun, X. | | Deposit date: | 2019-05-15 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.296 Å) | | Cite: | Structural Basis of Glycan Recognition in Globally Predominant Human P[8] Rotavirus.
Virol Sin, 35, 2020
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6JYN
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6JYR
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2LUQ
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5UEC
 | | Crystal Structure of CYP2B6 (Y226H/K262R) 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: | 2016-12-30 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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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
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