3HU5
 
 | | CRYSTAL STRUCTURE OF isochorismatase family protein from Desulfovibrio vulgaris subsp. vulgaris str. Hildenborough | | Descriptor: | Isochorismatase family protein | | Authors: | Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-06-12 | | Release date: | 2009-06-30 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | CRYSTAL STRUCTURE OF isochorismatase family protein from Desulfovibrio vulgaris subsp.
vulgaris str. Hildenborough
To be Published
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3HV0
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3HUK
 | | Benzylacetate in complex with T4 lysozyme L99A/M102Q | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-14 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HV5
 | | Human p38 MAP Kinase in Complex with RL24 | | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-06-15 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
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3HWI
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3HX3
 | | Crystal structure of CRALBP mutant R234W | | Descriptor: | RETINAL, Retinaldehyde-binding protein 1 | | Authors: | Stocker, A, He, X, Lobsiger, J. | | Deposit date: | 2009-06-19 | | Release date: | 2009-10-20 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Bothnia dystrophy is caused by domino-like rearrangements in cellular retinaldehyde-binding protein mutant R234W.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3HWT
 | | Ternary complex of DNA polymerase lambda bound to a two nucleotide gapped DNA substrate with a scrunched dA | | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ... | | Authors: | Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Pedersen, L.C, Kunkel, T.A. | | Deposit date: | 2009-06-18 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Scrunching during DNA repair synthesis
To be Published
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3I04
 | | Cyanide-bound structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase from Moorella thermoacetica, cyanide-bound C-cluster | | Descriptor: | ACETATE ION, COPPER (I) ION, CYANIDE ION, ... | | Authors: | Kung, Y, Doukov, T.I, Drennan, C.L. | | Deposit date: | 2009-06-24 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystallographic snapshots of cyanide- and water-bound C-clusters from bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase.
Biochemistry, 48, 2009
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3I34
 | | Proteinase K by LB Nanotemplate Method after high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, MERCURY (II) ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Radiation damage study of Proteinase K at ID14-2 beamline at ESRF
To be Published
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3I3Q
 | | Crystal Structure of AlkB in complex with Mn(II) and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, MANGANESE (II) ION | | Authors: | Yu, B, Hunt, J.F. | | Deposit date: | 2009-06-30 | | Release date: | 2009-08-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enzymological and structural studies of the mechanism of promiscuous substrate recognition by the oxidative DNA repair enzyme AlkB.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3I3J
 | | Crystal Structure of the Bromodomain of Human EP300 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Histone acetyltransferase p300, ... | | Authors: | Filippakopoulos, P, Picaud, S, Phillips, C, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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3I4B
 | | Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | | Descriptor: | Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide | | Authors: | Ter Haar, E. | | Deposit date: | 2009-07-01 | | Release date: | 2010-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
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3I4Z
 | | Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus | | Descriptor: | 1,3-BUTANEDIOL, GLYCEROL, Tryptophan dimethylallyltransferase | | Authors: | Schall, C, Zocher, G, Stehle, T. | | Deposit date: | 2009-07-03 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
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3I57
 | | Type 2 repeat of the mucus binding protein MUB from Lactobacillus reuteri | | Descriptor: | CALCIUM ION, Mucus binding protein | | Authors: | Hemmings, A.M, MacKenzie, D.A, Tailford, L.E, Juge, N. | | Deposit date: | 2009-07-03 | | Release date: | 2009-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a mucus binding protein repeat reveals an unexpected functional immunoglobulin binding activity.
J.Biol.Chem., 284, 2009
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3HNH
 | | Crystal Structure of PqqC Active Site Mutant Y175S,R179S in complex with a reaction intermediate | | Descriptor: | (2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, Pyrroloquinoline-quinone synthase | | Authors: | Puehringer, S, Schwarzenbacher, R. | | Deposit date: | 2009-05-31 | | Release date: | 2010-05-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural studies of mutant forms of the PQQ-forming enzyme PqqC in the presence of product and substrate
Proteins, 78, 2010
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3HML
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3HQD
 | | Human kinesin Eg5 motor domain in complex with AMPPNP and Mg2+ | | Descriptor: | Kinesin-like protein KIF11, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K. | | Deposit date: | 2009-06-05 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | ATP Hydrolysis in Eg5 Kinesin Involves a Catalytic Two-water Mechanism.
J.Biol.Chem., 285, 2010
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3HR1
 | | Discovery of novel inhibitors of PDE10A | | Descriptor: | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Pandit, J, Marr, E.S. | | Deposit date: | 2009-06-08 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
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3H5F
 | | Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. | | Descriptor: | ACETATE ION, CHLORIDE ION, COIL SER L16L-Pen, ... | | Authors: | Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2009-04-22 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3GSQ
 | | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5S peptide variant | | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5S (NLVPSVATV), ... | | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-08-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
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3GVR
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3H6K
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3GXD
 | | Crystal structure of Apo acid-beta-glucosidase pH 4.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION | | Authors: | Lieberman, R.L. | | Deposit date: | 2009-04-02 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
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3GYD
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3H85
 | | Molecular basis for the association of PIPKI gamma-p90 with the clathrin adaptor AP-2 | | Descriptor: | AP-2 complex subunit mu-1, NICKEL (II) ION, Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma | | Authors: | Vahedi-Faridi, A, Kahlfeldt, N, Schaefer, J.G, Haucke, V. | | Deposit date: | 2009-04-28 | | Release date: | 2009-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular basis for association of PIPKI gamma-p90 with clathrin adaptor AP-2.
J.Biol.Chem., 285, 2010
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