5SVM
 
 | | Crystal structure of the ATP-gated human P2X3 ion channel bound to agonist 2-methylthio-ATP in the desensitized state | | Descriptor: | 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-06 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.093 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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3SR0
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4CC9
 | | Crystal structure of human SAMHD1 (amino acid residues 582-626) bound to Vpx isolated from sooty mangabey and human DCAF1 (amino acid residues 1058-1396) | | Descriptor: | DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, PROTEIN VPRBP, PROTEIN VPX, ... | | Authors: | Schwefel, D, Groom, H.C.T, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A. | | Deposit date: | 2013-10-19 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.473 Å) | | Cite: | Structural Basis of Lentiviral Subversion of a Cellular Protein Degradation Pathway.
Nature, 505, 2014
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2EJR
 | | LSD1-tranylcypromine complex | | Descriptor: | Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE | | Authors: | Sengoku, T, Mimasu, S, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-20 | | Release date: | 2008-01-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A
Biochem.Biophys.Res.Commun., 366, 2008
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1YON
 | | Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate | | Descriptor: | 2-dehydropantoate 2-reductase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Authors: | Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C. | | Deposit date: | 2005-01-28 | | Release date: | 2006-04-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Acta Crystallogr.,Sect.D, 63, 2007
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5SW3
 | | Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino) | | Descriptor: | 6-(dimethylamino)pyridine-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Hassaan, E, Heine, A, Klebe, G. | | Deposit date: | 2016-08-08 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
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3T34
 | | Arabidopsis thaliana dynamin-related protein 1A (AtDRP1A) in prefission state | | Descriptor: | Dynamin-related protein 1A, LINKER, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Yan, L.M, Ma, Y.Y, Sun, Y.N, Lou, Z.Y. | | Deposit date: | 2011-07-24 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | Structural basis for mechanochemical role of Arabidopsis thaliana dynamin-related protein in membrane fission
J Mol Cell Biol, 3, 2011
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4QJ5
 | | Structure of a fragment of human phospholipase C-beta3 delta472-581, bound to IP3 and in complex with Galphaq | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | | Authors: | Lyon, A.M, Tesmer, J.J.G. | | Deposit date: | 2014-06-03 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Molecular mechanisms of phospholipase C beta 3 autoinhibition.
Structure, 22, 2014
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4QL0
 | | Crystal Structure Analysis of the Membrane Transporter FhaC (double mutant V169T, I176N) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Filamentous hemagglutinin transporter protein FhaC, HEXAETHYLENE GLYCOL, ... | | Authors: | Maier, T, Clantin, B, Gruss, F, Dewitte, F, Delattre, A.S, Jacob-Dubuisson, F, Hiller, S, Villeret, V. | | Deposit date: | 2014-06-10 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conserved Omp85 lid-lock structure and substrate recognition in FhaC
Nat Commun, 6, 2015
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1N5Q
 | | Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor in complex with dehydrated Sancycline | | Descriptor: | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE, ActaVA-Orf6 monooxygenase, HEXAETHYLENE GLYCOL | | Authors: | Sciara, G, Kendrew, S.G, Miele, A.E, Marsh, N.G, Federici, L, Malatesta, F, Schimperna, G, Savino, C, Vallone, B. | | Deposit date: | 2002-11-07 | | Release date: | 2003-01-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The structure of ActVA-Orf6, a novel type of monooxygenase involved in actinorhodin biosynthesis
Embo J., 22, 2003
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4LGQ
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4QDF
 | | Crystal structure of apo KshA5 and KshA1 in complex with 1,4-30Q-CoA from R. rhodochrous | | Descriptor: | 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D. | | Deposit date: | 2014-05-13 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
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3Q2N
 | | Mouse E-cadherin EC1-2 L175D mutant | | Descriptor: | CALCIUM ION, Cadherin-1, TETRAETHYLENE GLYCOL | | Authors: | Harrison, O.J, Jin, X, Shapiro, L. | | Deposit date: | 2010-12-20 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011
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4ELT
 | | Snapshot of the large fragment of DNA polymerase I from Thermus Aquaticus processing modified pyrimidines | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate), ACETATE ION, ... | | Authors: | Marx, A, Diederichs, K, Obeid, S. | | Deposit date: | 2012-04-11 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Interactions of non-polar and "Click-able" nucleotides in the confines of a DNA polymerase active site.
Chem.Commun.(Camb.), 48, 2012
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2CD8
 | | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | | Deposit date: | 2006-01-20 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
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2CA0
 | | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-12-15 | | Release date: | 2006-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1)
To be Published
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4R3C
 | | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2014-08-14 | | Release date: | 2015-02-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
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2I1X
 | | Bacteriorhodopsin/lipid complex, D96A mutant | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | | Authors: | Lanyi, J.K, Schobert, B. | | Deposit date: | 2006-08-15 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants.
Biochemistry, 45, 2006
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3PYI
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1K9S
 | | PURINE NUCLEOSIDE PHOSPHORYLASE FROM E. COLI IN COMPLEX WITH FORMYCIN A DERIVATIVE AND PHOSPHATE | | Descriptor: | 2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL, PHOSPHATE ION, ... | | Authors: | Koellner, G, Bzowska, A, Wielgus-Kutrowska, B, Luic, M, Steiner, T, Saenger, W, Stepinski, J. | | Deposit date: | 2001-10-30 | | Release date: | 2001-11-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Open and closed conformation of the E. coli purine nucleoside phosphorylase active center and implications for the catalytic mechanism.
J.Mol.Biol., 315, 2002
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2CBS
 | | CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-13 6307) | | Descriptor: | 3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL) -OCTA-2,4,6-TRIENOIC ACID, PROTEIN (CRABP-II) | | Authors: | Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A. | | Deposit date: | 1999-02-22 | | Release date: | 1999-12-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids.
Acta Crystallogr.,Sect.D, 55, 1999
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4R42
 | | Crystal structure of KatB, a manganese catalase from Anabaena PCC7120 | | Descriptor: | Alr3090 protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bihani, S.C. | | Deposit date: | 2014-08-19 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | KatB, a cyanobacterial Mn-catalase with unique active site configuration: Implications for enzyme function.
Free Radic. Biol. Med., 93, 2016
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5UMH
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2E7Z
 | | Acetylene Hydratase from Pelobacter acetylenicus | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ... | | Authors: | Einsle, O, Kroneck, P.M.H, Seiffert, G.B, Messerschmidt, A. | | Deposit date: | 2007-01-15 | | Release date: | 2007-02-27 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure of the non-redox-active tungsten/[4Fe:4S] enzyme acetylene hydratase
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4LLC
 | | The crystal structure of R60E mutant of the histidine kinase (KinB) sensor domain from Pseudomonas aeruginosa PA01 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Probable two-component sensor, ... | | Authors: | Tan, K, Chhor, G, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-07-09 | | Release date: | 2013-08-07 | | Last modified: | 2013-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of R60E mutant of the histidine kinase (KinB) sensor domain from Pseudomonas aeruginosa PA01
To be Published
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