2WR8
 
 | | Structure of Pyrococcus horikoshii SAM hydroxide adenosyltransferase in complex with SAH | | Descriptor: | PUTATIVE UNCHARACTERIZED PROTEIN PH0463, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | McMahon, S.A, Deng, H, O'Hagan, D, Johnson, K.A, Naismith, J.H. | | Deposit date: | 2009-08-31 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Mechanistic Insights Into Water Activation in Sam Hydroxide Adenosyltransferase (Duf-62).
Chembiochem, 10, 2009
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1YSQ
 | | The crystal structure of transcriptional regulator YaiJ | | Descriptor: | HTH-type transcriptional regulator yiaJ, PHOSPHATE ION | | Authors: | Bochkarev, A, Lunin, V.V, Ezersky, A, Evdokimova, E, Skarina, T, Xu, X, Borek, D, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-02-08 | | Release date: | 2005-03-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural study of effector binding specificity in IclR transcriptional regulators
To be Published
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1YQU
 | | Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene | | Descriptor: | GUANINE, PHOSPHATE ION, Xanthosine phosphorylase | | Authors: | Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M. | | Deposit date: | 2005-02-02 | | Release date: | 2005-04-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
J.Mol.Biol., 348, 2005
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1YTR
 | | NMR structure of plantaricin a in dpc micelles, 20 structures | | Descriptor: | Bacteriocin plantaricin A | | Authors: | Kristiansen, P.E, Fimland, G, Mantzilas, D, Nissen-Meyer, J. | | Deposit date: | 2005-02-11 | | Release date: | 2005-05-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure and mode of action of the membrane-permeabilizing antimicrobial peptide pheromone plantaricin A
J.Biol.Chem., 280, 2005
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2WYJ
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2009-11-16 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
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2X7D
 | | Crystal structure of human kinesin Eg5 in complex with (S)-dimethylenastron | | Descriptor: | (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | | Deposit date: | 2010-02-26 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
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1YNT
 | | Structure of the monomeric form of T. gondii SAG1 surface antigen bound to a human Fab | | Descriptor: | 4F11E12 Fab variable heavy chain region, 4F11E12 Fab variable light chain region, CADMIUM ION, ... | | Authors: | Graille, M, Stura, E.A, Bossus, M, Muller, B.H, Letourneur, O, Battail-Poirot, N, Sibai, G, Rolland, D, Le Du, M.H, Ducancel, F. | | Deposit date: | 2005-01-25 | | Release date: | 2005-12-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of the complex between the monomeric form of Toxoplasma gondii surface antigen 1 (SAG1) and a monoclonal antibody that mimics the human immune response
J.Mol.Biol., 354, 2005
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2X7Y
 | | P450 BM3 F87A in complex with DMSO | | Descriptor: | BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kuper, J, Wong, T.S, Roccatano, D, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2010-03-04 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Role of Active-Site Phe87 in Modulating the Organic Co-Solvent Tolerance of Cytochrome P450 Bm3 Monooxygenase.
Acta Crystallogr.,Sect.F, 68, 2012
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2K4L
 | | Solution structure of a 2:1C2-(2-naphthyl)pyrrolo[2,1-c][1,4]benzodiazepine (PBD) DNA adduct: molecular basis for unexpectedly high DNA helix stabilization. | | Descriptor: | (11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-3' | | Authors: | Antonow, D, Barata, T, Jenkins, T.C, Parkinson, G.N, Howard, P.W, Thurston, D.E, Zloh, M. | | Deposit date: | 2008-06-13 | | Release date: | 2008-10-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a 2:1 C2-(2-naphthyl) pyrrolo[2,1-c][1,4]benzodiazepine DNA adduct: molecular basis for unexpectedly high DNA helix stabilization.
Biochemistry, 47, 2008
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2JAE
 | | The structure of L-amino acid oxidase from Rhodococcus opacus in the unbound state | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-AMINO ACID OXIDASE | | Authors: | Faust, A, Niefind, K, Hummel, W, Schomburg, D. | | Deposit date: | 2006-11-27 | | Release date: | 2007-01-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The Structure of a Bacterial L-Amino Acid Oxidase from Rhodococcus Opacus Gives New Evidence for the Hydride Mechanism for Dehydrogenation.
J.Mol.Biol., 367, 2007
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1YMQ
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1YOK
 | | crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Nuclear receptor coactivator 2, Orphan nuclear receptor NR5A2 | | Authors: | Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, MacKay, J.A, Juzumiene, D, Bynum, J.M, Madauss, K, Montana, V, Lebedeva, L, Suzawa, M, Williams, J.D, Williams, S.P, Guy, R.K, Thornton, J.W, Fletterick, R.J, Willson, T.M, Ingraham, H.A. | | Deposit date: | 2005-01-27 | | Release date: | 2005-07-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1.
Cell(Cambridge,Mass.), 120, 2005
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2X00
 | | CRYSTAL STRUCTURE OF A-ACHBP IN COMPLEX WITH GYMNODIMINE A | | Descriptor: | GYMNODIMINE A, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P. | | Deposit date: | 2009-12-04 | | Release date: | 2010-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2X6V
 | | Crystal structure of human TBX5 in the DNA-bound and DNA-free form | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5'-D(*TP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP)-3', ... | | Authors: | Ptchelkine, D, Stirnimann, C.U, Grimm, C, Mueller, C.W. | | Deposit date: | 2010-02-22 | | Release date: | 2010-04-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Tbx5-DNA Recognition: The T-Box Domain in its DNA-Bound and -Unbound Form.
J.Mol.Biol., 400, 2010
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1YS5
 | | Solution structure of the antigenic domain of GNA1870 of Neisseria meningitidis | | Descriptor: | lipoprotein | | Authors: | Cantini, F, Savino, S, Masignani, V, Pizza, M, Scarselli, M, Swennen, E, Romagnoli, G, Veggi, D, Banci, L, Rappuoli, R. | | Deposit date: | 2005-02-07 | | Release date: | 2006-02-07 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the immunodominant domain of protective antigen GNA1870 of Neisseria meningitidis
J.Biol.Chem., 281, 2006
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2WZP
 | | Structures of Lactococcal Phage p2 Baseplate Shed Light on a Novel Mechanism of Host Attachment and Activation in Siphoviridae | | Descriptor: | CAMELID VHH5, LACTOCOCCAL PHAGE P2 ORF15, LACTOCOCCAL PHAGE P2 ORF16, ... | | Authors: | Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C. | | Deposit date: | 2009-12-01 | | Release date: | 2010-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1Z0Q
 | | Aqueous Solution Structure of the Alzheimer's Disease Abeta Peptide (1-42) | | Descriptor: | Alzheimer's disease amyloid | | Authors: | Tomaselli, S, Esposito, V, Vangone, P, van Nuland, N.A, Bonvin, A.M, Guerrini, R, Tancredi, T, Temussi, P.A, Picone, D. | | Deposit date: | 2005-03-02 | | Release date: | 2006-05-23 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The alpha-to-beta Conformational Transition of Alzheimer's Abeta-(1-42) Peptide in Aqueous Media is Reversible: A Step by Step Conformational Analysis Suggests the Location of beta Conformation Seeding
Chembiochem, 7, 2006
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2XCB
 | | Crystal structure of PcrH in complex with the chaperone binding region of PopD | | Descriptor: | NITRATE ION, PEPD, REGULATORY PROTEIN PCRH | | Authors: | Job, V, Mattei, P.-J, Lemaire, D, Attree, I, Dessen, A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis of Chaperone Recognition of Type III Secretion System Minor Translocator Proteins.
J.Biol.Chem., 285, 2010
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2XKR
 | | Crystal Structure of Mycobacterium tuberculosis CYP142: A novel cholesterol oxidase | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 142, TETRAETHYLENE GLYCOL | | Authors: | Driscoll, M, McLean, K.J, Levy, C.W, Lafite, P, Mast, N, Pikuleva, I.A, Rigby, S.E.J, Leys, D, Munro, A.W. | | Deposit date: | 2010-07-12 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Structural and Biochemical Characterization of Mycobacterium Tuberculosis Cyp142: Evidence for Multiple Cholesterol 27-Hydroxylase Activities in a Human Pathogen.
J.Biol.Chem., 285, 2010
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1Z1H
 | | HIV-1 protease complexed with macrocyclic peptidomimetic inhibitor 3 | | Descriptor: | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE, Pol polyprotein, SULFATE ION | | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | | Deposit date: | 2005-03-04 | | Release date: | 2005-03-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease
Biochemistry, 38, 1999
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2XJ1
 | | Protein kinase Pim-1 in complex with small molecule inibitor | | Descriptor: | (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XJQ
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae | | Descriptor: | CHLORIDE ION, FLOCCULATION PROTEIN FLO5, GLYCEROL, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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2Y37
 | | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | | Descriptor: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | | Deposit date: | 2010-12-19 | | Release date: | 2011-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
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2XQ9
 | | Pentameric ligand gated ion channel GLIC mutant E221A in complex with tetraethylarsonium (TEAs) | | Descriptor: | ARSENIC, GLR4197 PROTEIN | | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | | Deposit date: | 2010-09-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
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2XFJ
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2010-05-24 | | Release date: | 2010-07-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
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