6VJT
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6RFG
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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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3UAS
| Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | Deposit date: | 2011-10-21 | Release date: | 2013-01-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.939 Å) | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry, 52, 2013
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7SI9
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-10-12 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TDU
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-03 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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3R1B
| Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | Descriptor: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | Deposit date: | 2011-03-09 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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7TEH
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-05 | 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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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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3R1A
| Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | Descriptor: | (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | Deposit date: | 2011-03-09 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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4H1N
| Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | Authors: | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | Deposit date: | 2012-09-10 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket. Arch.Biochem.Biophys., 530, 2013
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8S9H
| Crystal structure of monkey TLR7 ectodomain with compound 14 | Descriptor: | (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Critton, D.A. | Deposit date: | 2023-03-28 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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5YVF
| Crystal structure of BFA1 | Descriptor: | BFA1 | Authors: | Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L. | Deposit date: | 2017-11-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1. Plant Cell, 30, 2018
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4OKS
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4JLT
| Crystal structure of P450 2B4(H226Y) in complex with paroxetine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2013-03-13 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther., 346, 2013
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4Q9J
| P-glycoprotein cocrystallised with QZ-Val | Descriptor: | Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4Q9H
| P-glycoprotein at 3.4 A resolution | Descriptor: | Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4QEC
| ElxO with NADP Bound | Descriptor: | ElxO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Garg, N, Nair, S.K. | Deposit date: | 2014-05-15 | Release date: | 2014-07-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate Specificity of the Lanthipeptide Peptidase ElxP and the Oxidoreductase ElxO. Acs Chem.Biol., 9, 2014
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4Q9K
| P-glycoprotein cocrystallised with QZ-Leu | Descriptor: | (30F)L(30F)L(30F)L Peptide, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4QQ4
| CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3 | Descriptor: | CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ... | Authors: | Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-26 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins. J.Biol.Chem., 291, 2016
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7JU8
| X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine | Descriptor: | 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ... | Authors: | Farrow, N.A. | Deposit date: | 2020-08-19 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Indole Inhibitors of MMP-13 for Arthritic Disorders Acs Omega, 6, 2021
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