3HQY
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![BU of 3hqy by Molmil](/molmil-images/mine/3hqy) | Discovery of novel inhibitors of PDE10A | Descriptor: | 2-({4-[4-(pyridin-4-ylmethyl)-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 (2 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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3IT5
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![BU of 3it5 by Molmil](/molmil-images/mine/3it5) | Crystal Structure of the LasA Virulence Factor from Pseudomonas aeruginosa | Descriptor: | Protease lasA, ZINC ION | Authors: | Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases. J.Mol.Biol., 396, 2010
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3IMJ
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3IMR
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![BU of 3imr by Molmil](/molmil-images/mine/3imr) | Transthyretin in complex with (E)-2,6-dibromo-4-(2,6-dichlorostyryl)phenol | Descriptor: | 2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol, Transthyretin | Authors: | Connelly, S, Wilson, I.A. | Deposit date: | 2009-08-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc., 132, 2010
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3INM
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![BU of 3inm by Molmil](/molmil-images/mine/3inm) | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+) | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B. | Deposit date: | 2009-08-12 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cancer-associated IDH1 mutations produce 2-hydroxyglutarate. Nature, 462, 2009
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3IW6
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![BU of 3iw6 by Molmil](/molmil-images/mine/3iw6) | Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | Descriptor: | Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3IWG
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![BU of 3iwg by Molmil](/molmil-images/mine/3iwg) | Acetyltransferase from GNAT family from Colwellia psychrerythraea. | Descriptor: | Acetyltransferase, GNAT family, CHLORIDE ION, ... | Authors: | Osipiuk, J, Stein, A, Shackelford, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-09-02 | Release date: | 2009-09-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystal structure of Acetyltransferase from GNAT family from Colwellia psychrerythraea. To be Published
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3I6V
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![BU of 3i6v by Molmil](/molmil-images/mine/3i6v) | Crystal structure of a periplasmic His/Glu/Gln/Arg/opine family-binding protein from Silicibacter pomeroyi in complex with lysine | Descriptor: | GLYCEROL, LYSINE, SODIUM ION, ... | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Miller, S, Romero, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-07-07 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a periplasmic His/Glu/Gln/Arg/opine family-binding protein from Silicibacter pomeroyi in complex with lysine To be Published
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3I73
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![BU of 3i73 by Molmil](/molmil-images/mine/3i73) | Structural characterization for the nucleotide binding ability of subunit A with ADP of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | Deposit date: | 2009-07-08 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution. J.Mol.Biol., 396, 2010
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3I7C
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3I74
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3I7Z
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![BU of 3i7z by Molmil](/molmil-images/mine/3i7z) | Protein Tyrosine Phosphatase 1B - Transition state analog for the first catalytic step | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EGFR receptor fragment, GLYCEROL, ... | Authors: | Brandao, T.A.S, Johnson, S.J, Hengge, A.C. | Deposit date: | 2009-07-09 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into the reaction of protein-tyrosine phosphatase 1B: crystal structures for transition state analogs of both catalytic steps. J.Biol.Chem., 285, 2010
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3I90
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![BU of 3i90 by Molmil](/molmil-images/mine/3i90) | Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide | Descriptor: | Chromobox protein homolog 6, H3K27 peptide | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-10 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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3I8Z
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![BU of 3i8z by Molmil](/molmil-images/mine/3i8z) | Crystal structure of human chromobox homolog 4 (CBX4) | Descriptor: | E3 SUMO-protein ligase CBX4 | Authors: | Amaya, M.F, Zhihong, L, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-10 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of human chromobox homolog 4 (CBX4) To be Published
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3I94
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![BU of 3i94 by Molmil](/molmil-images/mine/3i94) | Crystal structure of PcyA-biliverdin XIII alpha complex | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SULFATE ION | Authors: | Hagiwara, Y, Sugishima, M, Fukuyama, K. | Deposit date: | 2009-07-10 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Structural insights into vinyl reduction regiospecificity of phycocyanobilin:ferredoxin oxidoreductase (PcyA). to be published
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3IA0
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3IB6
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![BU of 3ib6 by Molmil](/molmil-images/mine/3ib6) | Crystal structure of an uncharacterized protein from Listeria monocytogenes serotype 4b | Descriptor: | Uncharacterized protein | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Do, J, Ozyurt, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-07-15 | Release date: | 2009-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of an uncharacterized protein from Listeria monocytogenes serotype 4b To be Published
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3IBE
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![BU of 3ibe by Molmil](/molmil-images/mine/3ibe) | Crystal Structure of a Pyrazolopyrimidine Inhibitor Bound to PI3 Kinase Gamma | Descriptor: | 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Bard, J, Svenson, K. | Deposit date: | 2009-07-15 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines. J.Med.Chem., 52, 2009
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3IC2
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![BU of 3ic2 by Molmil](/molmil-images/mine/3ic2) | Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-266 | Descriptor: | 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P. | Deposit date: | 2009-07-17 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents To be Published
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3IEK
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![BU of 3iek by Molmil](/molmil-images/mine/3iek) | Crystal Structure of native TTHA0252 from Thermus thermophilus HB8 | Descriptor: | CITRATE ANION, Ribonuclease TTHA0252, SULFATE ION, ... | Authors: | Ishikawa, H, Nakagawa, N, Kuramitsu, S, Yokoyama, S, Masui, R. | Deposit date: | 2009-07-22 | Release date: | 2010-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of native TTHA0252 from Thermus thermophilus HB8 To be Published
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3ICE
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![BU of 3ice by Molmil](/molmil-images/mine/3ice) | Rho transcription termination factor bound to RNA and ADP-BeF3 | Descriptor: | 5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3', ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Thomsen, N.D, Berger, J.M. | Deposit date: | 2009-07-17 | Release date: | 2009-11-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Running in reverse: the structural basis for translocation polarity in hexameric helicases. Cell(Cambridge,Mass.), 139, 2009
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3IHI
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![BU of 3ihi by Molmil](/molmil-images/mine/3ihi) | Crystal structure of mouse thymidylate synthase | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W.R, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W. | Deposit date: | 2009-07-30 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme Struct Chem, 2016
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3IF8
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3IJY
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![BU of 3ijy by Molmil](/molmil-images/mine/3ijy) | Structure of S67-27 in Complex with Kdo(2.8)Kdo | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Immunoglobulin heavy chain (IGG3), Immunoglobulin light chain (IGG3), ... | Authors: | Brooks, C.L, Blackler, R.J, Evans, S.V. | Deposit date: | 2009-08-05 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The role of CDR H3 in antibody recognition of a synthetic analog of a lipopolysaccharide antigen. Glycobiology, 20, 2010
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3IHA
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![BU of 3iha by Molmil](/molmil-images/mine/3iha) | Crystal Structure Analysis of Mglu in its glutamate form | Descriptor: | GLUTAMIC ACID, Salt-tolerant glutaminase | Authors: | Yoshimune, K, Shirakihara, Y. | Deposit date: | 2009-07-29 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product l-glutamate and its activator Tris Febs J., 277, 2010
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