2CKE
 
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1Q2V
 | | Crystal structure of the chaperonin from Thermococcus strain KS-1 (nucleotide-free form) | | Descriptor: | SULFATE ION, Thermosome alpha subunit | | Authors: | Shomura, Y, Yoshida, T, Iizuka, R, Yohda, M, Maruyama, T, Miki, K. | | Deposit date: | 2003-07-26 | | Release date: | 2004-01-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of the Group II Chaperonin from Thermococcus strain KS-1: Steric Hindrance by the Substituted Amino Acid, and Inter-subunit Rearrangement between Two Crystal Forms.
J.Mol.Biol., 335, 2004
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4HXV
 | | Crystal structure of 3'(2'),5'-bisphosphate nucleotidase1 from Entamoeba histolytica in complex with AMP and metal ions | | Descriptor: | 3'(2'),5'-bisphosphate nucleotidase, putative, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Tarique, K.F, Abdul Rehman, S.A, Gourinath, S. | | Deposit date: | 2012-11-12 | | Release date: | 2013-11-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural elucidation of a dual-activity PAP phosphatase-1 from Entamoeba histolytica capable of hydrolysing both 3'-phosphoadenosine 5'-phosphate and inositol 1,4-bisphosphate
Acta Crystallogr.,Sect.D, 70, 2014
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4I33
 | | Crystal structure of HCV NS3/4A R155K protease complexed with compound 4 | | Descriptor: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... | | Authors: | Lemke, C.T. | | Deposit date: | 2012-11-23 | | Release date: | 2013-01-02 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.9001 Å) | | Cite: | Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
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1FHB
 | | THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE CYANIDE ADDUCT OF A MET80ALA VARIANT OF SACCHAROMYCES CEREVISIAE ISO-1-CYTOCHROME C. IDENTIFICATION OF LIGAND-RESIDUE INTERACTIONS IN THE DISTAL HEME CAVITY | | Descriptor: | CYANIDE ION, FERRICYTOCHROME C, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Banci, L, Bertini, I, Bren, K.L, Gray, H.B, Sompornpisut, P, Turano, P. | | Deposit date: | 1995-06-16 | | Release date: | 1995-09-15 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Three-Dimensional Solution Structure of the Cyanide Adduct of a met80Ala Variant of Saccharomyces Cerevisiae Iso-1-Cytochrome C. Identification of Ligand-Residue Interactions in the Distal Heme Cavity
Biochemistry, 34, 1995
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5QET
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000017a | | Descriptor: | 1-(4-amino-2-hydroxyphenyl)ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.724 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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2BWQ
 | | Crystal Structure of the RIM2 C2A-domain at 1.4 angstrom Resolution | | Descriptor: | REGULATING SYNAPTIC MEMBRANE EXOCYTOSIS PROTEIN 2, SULFATE ION | | Authors: | Dai, H, Tomchick, D.R, Garcia, J, Sudhof, T.C, Machius, M, Rizo, J. | | Deposit date: | 2005-07-15 | | Release date: | 2005-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystal Structure of the Rim2 C(2)A-Domain at 1.4 A Resolution.
Biochemistry, 44, 2005
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4MWS
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5QEF
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000134a | | Descriptor: | 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.605 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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3ORX
 | | PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8 | | Descriptor: | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, CHLORIDE ION | | Authors: | Sadowsky, J.D, Wells, J.A. | | Deposit date: | 2010-09-08 | | Release date: | 2011-03-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2044 Å) | | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
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1GNX
 | | b-glucosidase from Streptomyces sp | | Descriptor: | BETA-GLUCOSIDASE, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | Authors: | Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M. | | Deposit date: | 2001-10-10 | | Release date: | 2002-10-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Beta-Glucosidase from Streptomyces
To be Published
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4Q6I
 | | Crystal structure of murine 2D5 Fab, a potent anti-CD4 HIV-1-neutralizing antibody in complex with CD4 | | Descriptor: | Heavy chain of murine 2D5 Fab, Light chain of murine 2D5 Fab, T-cell surface glycoprotein CD4 | | Authors: | Boyington, J.C, Nabel, G.J, Mascola, J.R. | | Deposit date: | 2014-04-22 | | Release date: | 2014-07-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Neutralizing antibodies to HIV-1 envelope protect more effectively in vivo than those to the CD4 receptor.
Sci Transl Med, 6, 2014
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3RSQ
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, POTASSIUM ION, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-02 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.054 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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3HKY
 | | HCV NS5B polymerase genotype 1b in complex with 1,5 benzodiazepine 6 | | Descriptor: | (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase, ... | | Authors: | Nyanguile, O, De Bondt, H.L. | | Deposit date: | 2009-05-26 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
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4PYH
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3P05
 | | X-ray structure of pentameric HIV-1 CA | | Descriptor: | HIV-1 CA, IODIDE ION | | Authors: | Pornillos, O. | | Deposit date: | 2010-09-27 | | Release date: | 2011-01-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Atomic-level modelling of the HIV capsid.
Nature, 469, 2011
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3HKW
 | | HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6 | | Descriptor: | (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, GLYCEROL, NS5B RNA-dependent RNA polymerase, ... | | Authors: | Nyanguile, O, De Bondt, H.L. | | Deposit date: | 2009-05-26 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
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5QG6
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA001176b | | Descriptor: | 1-(2-phenoxyphenyl)ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.734 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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1BNU
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | 3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1GNT
 | | Hybrid Cluster Protein from Desulfovibrio vulgaris. X-ray structure at 1.25A resolution using synchrotron radiation. | | Descriptor: | HYBRID CLUSTER PROTEIN, IRON/SULFUR CLUSTER, IRON/SULFUR/OXYGEN HYBRID CLUSTER | | Authors: | Macedo, S, Mitchell, E.P, Romao, C.V, Cooper, S.J, Coelho, R, Liu, M.Y, Xavier, A.V, Legall, J, Bailey, S, Garner, D.C, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P. | | Deposit date: | 2001-10-08 | | Release date: | 2002-04-11 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Hybrid cluster proteins (HCPs) from Desulfovibrio desulfuricans ATCC 27774 and Desulfovibrio vulgaris (Hildenborough): X-ray structures at 1.25 A resolution using synchrotron radiation.
J. Biol. Inorg. Chem., 7, 2002
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1BO9
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3PA1
 | | Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with HBGA type A | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE, ... | | Authors: | Hansman, G.S, Biertumpfel, C, Chen, L, Georgiev, I, McLellan, J.S, Katayama, K, Kwong, P.D. | | Deposit date: | 2010-10-18 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structures of GII.10 and GII.12 Norovirus Protruding Domains in Complex with Histo-Blood Group Antigens Reveal Details for a Potential Site of Vulnerability.
J.Virol., 85, 2011
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1NAX
 | | Thyroid receptor beta1 in complex with a beta-selective ligand | | Descriptor: | Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID | | Authors: | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | | Deposit date: | 2002-11-29 | | Release date: | 2003-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
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7EW0
 | | Cryo-EM structure of ozanimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | | Descriptor: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yuan, Y, Jia, G.W, Su, Z.M, Shao, Z.H. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-29 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
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4GRY
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