3MNP
 
 | | Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, V708A, E711G) mutations at 1.50A | | Descriptor: | DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ... | | Authors: | Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
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4CM5
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3NLJ
 | | Structure of neuronal nitric oxide synthase D597N/M336V/Y706A triple mutant heme domain complexed with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy] pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
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4LUY
 | | Crystal structure of CdALR mutant K 271 T | | Descriptor: | Alanine racemase | | Authors: | Asojo, O.A. | | Deposit date: | 2013-07-25 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and biochemical analyses of alanine racemase from the multidrug-resistant Clostridium difficile strain 630.
Acta Crystallogr.,Sect.D, 70, 2014
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6E5W
 | | Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) | | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 | | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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3NF9
 | | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | | Descriptor: | 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | | Deposit date: | 2010-06-10 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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6ESB
 | | BK polyomavirus + 20 mM GT1b oligosaccharide | | Descriptor: | CALCIUM ION, Capsid protein VP1, Minor capsid protein VP2, ... | | Authors: | Hurdiss, D.L, Ranson, N.A. | | Deposit date: | 2017-10-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The Structure of an Infectious Human Polyomavirus and Its Interactions with Cellular Receptors.
Structure, 26, 2018
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7JQD
 | | Crystal Structure of PAC1r in complex with peptide antagonist | | Descriptor: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | | Authors: | Piper, D.E, Hu, E, Fang-Tsao, H. | | Deposit date: | 2020-08-10 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
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4MBS
 | | Crystal Structure of the CCR5 Chemokine Receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ... | | Authors: | Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B. | | Deposit date: | 2013-08-19 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
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4LXZ
 | | Structure of Human HDAC2 in complex with SAHA (vorinostat) | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ... | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2013-07-30 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
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3NLO
 | | Structure of neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-{{(3'S,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ... | | Authors: | Li, H, Delker, S.L, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
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4E1V
 | | X-RAY Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with 5-Fluorouracil at 2.15 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, GLYCEROL, ... | | Authors: | Lashkov, A.A, Sotnichenko, S.E, Prokofev, I.I, Gabdoulkhakov, A.G, Mikhailov, A.M. | | Deposit date: | 2012-03-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae.
Acta Crystallogr.,Sect.D, 68, 2012
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4E3Q
 | | PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ... | | Authors: | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | | Deposit date: | 2012-03-10 | | Release date: | 2012-10-10 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
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4M0E
 | | Structure of human acetylcholinesterase in complex with dihydrotanshinone I | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
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4M12
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4LT0
 | | HEWL co-crystallized with Carboplatin in non-NaCl conditions: crystal 1 processed using the EVAL software package | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R. | | Deposit date: | 2013-07-23 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Carboplatin binding to histidine.
Acta Crystallogr.,Sect.F, 70, 2014
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3NXG
 | | JC polyomavirus VP1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1 | | Authors: | Neu, U, Stroeh, L.J, Stehle, T. | | Deposit date: | 2010-07-13 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-function analysis of the human JC polyomavirus establishes the LSTc pentasaccharide as a functional receptor motif.
Cell Host Microbe, 8, 2010
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3NWQ
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6AL4
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4M0Z
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3O5G
 | | Fk1 domain of FKBP51, crystal form I | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | | Deposit date: | 2010-07-28 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
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3O5J
 | | Fk1 domain of FKBP51, crystal form III | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | | Deposit date: | 2010-07-28 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
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3O5O
 | | Fk1 domain mutant A19T of FKBP51, crystal form III | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, THIOCYANATE ION | | Authors: | Bracher, A, Kozany, C, Thost, A.-K, Hausch, F. | | Deposit date: | 2010-07-28 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
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6ELI
 | | Structure of HIV-1 reverse transcriptase (RT) in complex with rilpivirine and an RNase H inhibitor XZ462 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Gag-Pol polyprotein, ... | | Authors: | Das, K, Arnold, E. | | Deposit date: | 2017-09-29 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Developing and Evaluating Inhibitors against the RNase H Active Site of HIV-1 Reverse Transcriptase.
J. Virol., 92, 2018
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6AR9
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