4TVH
 
 | | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | Deposit date: | 2014-06-26 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
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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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5UDA
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5UNI
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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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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
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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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4RQL
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4RRT
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3H47
 | | X-ray Structure of Hexameric HIV-1 CA | | Descriptor: | Capsid protein p24 | | Authors: | Pornillos, O. | | Deposit date: | 2009-04-18 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray structures of the hexameric building block of the HIV capsid.
Cell(Cambridge,Mass.), 137, 2009
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3GV2
 | | X-ray Structure of Hexameric HIV-1 CA | | Descriptor: | Capsid protein p24,Carbon dioxide-concentrating mechanism protein CcmK homolog 4 | | Authors: | Kelly, B.N. | | Deposit date: | 2009-03-30 | | Release date: | 2009-06-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (7 Å) | | Cite: | X-ray structures of the hexameric building block of the HIV capsid.
Cell(Cambridge,Mass.), 137, 2009
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3H4E
 | | X-ray Structure of Hexameric HIV-1 CA | | Descriptor: | Capsid protein p24 | | Authors: | Pornillos, O. | | Deposit date: | 2009-04-19 | | Release date: | 2009-06-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | X-ray structures of the hexameric building block of the HIV capsid.
Cell(Cambridge,Mass.), 137, 2009
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1TRA
 | | RESTRAINED REFINEMENT OF THE MONOCLINIC FORM OF YEAST PHENYLALANINE TRANSFER RNA. TEMPERATURE FACTORS AND DYNAMICS, COORDINATED WATERS, AND BASE-PAIR PROPELLER TWIST ANGLES | | Descriptor: | MAGNESIUM ION, TRNAPHE | | Authors: | Westhof, E, Sundaralingam, M. | | Deposit date: | 1986-05-16 | | Release date: | 1986-07-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Restrained refinement of the monoclinic form of yeast phenylalanine transfer RNA. Temperature factors and dynamics, coordinated waters, and base-pair propeller twist angles.
Biochemistry, 25, 1986
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7ZUD
 | | Crystal structure of HIV-1 capsid IP6-CPSF6 complex | | Descriptor: | Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, INOSITOL HEXAKISPHOSPHATE | | Authors: | Nicastro, G, Taylor, I.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-07-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | CP-MAS and Solution NMR Studies of Allosteric Communication in CA-assemblies of HIV-1.
J.Mol.Biol., 434, 2022
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2FDW
 | | Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound | | Descriptor: | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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2FDU
 | | Microsomal P450 2A6 with the inhibitor N,N-Dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | | Descriptor: | Cytochrome P450 2A6, N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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4FAA
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4FA7
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5ERA
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5ER7
 | | Connexin-26 Bound to Calcium | | Descriptor: | CALCIUM ION, Gap junction beta-2 protein | | Authors: | Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J. | | Deposit date: | 2015-11-13 | | Release date: | 2016-01-27 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.286 Å) | | Cite: | An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
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1UO5
 | | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | | Descriptor: | CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, iodobenzene | | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y. | | Deposit date: | 2003-09-15 | | Release date: | 2004-10-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
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2FDV
 | | Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 2A6, N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, ... | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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2FDY
 | | Microsomal P450 2A6 with the inhibitor Adrithiol bound | | Descriptor: | 4,4'-DIPYRIDYL DISULFIDE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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1FKA
 | | STRUCTURE OF FUNCTIONALLY ACTIVATED SMALL RIBOSOMAL SUBUNIT AT 3.3 A RESOLUTION | | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Schluenzen, F, Tocilj, A, Zarivach, R, Harms, J, Gluehmann, M, Janell, D, Bashan, A, Bartels, H, Agmon, I, Franceschi, F, Yonath, A. | | Deposit date: | 2000-08-09 | | Release date: | 2000-09-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of functionally activated small ribosomal subunit at 3.3 angstroms resolution.
Cell(Cambridge,Mass.), 102, 2000
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