3U6I
| Crystal structure of c-Met in complex with pyrazolone inhibitor 58a | Descriptor: | Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
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3U9W
| Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Niegowski, D, Thunnissen, M, Tholander, F, Rinaldo-Matthis, A, Muroya, A, Haeggstrom, J.Z. | Deposit date: | 2011-10-20 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A To be Published
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3UAZ
| Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with inosine | Descriptor: | GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ... | Authors: | Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E. | Deposit date: | 2011-10-22 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase. Acta Crystallogr.,Sect.D, 68, 2012
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3TPP
| Crystal structure of BACE1 complexed with an inhibitor | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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3TKQ
| Crystal structure of full-length human peroxiredoxin 4 with mixed conformation | Descriptor: | Peroxiredoxin-4 | Authors: | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | Deposit date: | 2011-08-28 | Release date: | 2011-10-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4 Biochem.J., 2011
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3RG3
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3RIB
| Human lysine methyltransferase Smyd2 in complex with AdoHcy | Descriptor: | N-lysine methyltransferase SMYD2, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Xu, S, Zhang, T, Zhong, C, Ding, J. | Deposit date: | 2011-04-13 | Release date: | 2011-07-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structure of human lysine methyltransferase Smyd2 reveals insights into the substrate divergence in Smyd proteins J Mol Cell Biol, 3, 2011
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3RBG
| Crystal structure analysis of Class-I MHC restricted T-cell associated molecule | Descriptor: | Cytotoxic and regulatory T-cell molecule, PHOSPHATE ION | Authors: | Rubinstein, R, Ramagopal, U.A, Toro, R, Nathenson, S.G, Fiser, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2011-03-29 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional classification of immune regulatory proteins. Structure, 21, 2013
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3RIX
| 1.7A resolution structure of a firefly luciferase-Aspulvinone J inhibitor complex | Descriptor: | (5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one, Luciferin 4-monooxygenase | Authors: | Lovell, S, Battaile, K.P, Lopez, P.C, Auld, D.S, Schultz, P.J, MacArthur, R, Shen, M, Tamayo, G, Inglese, J, Sherman, D.H. | Deposit date: | 2011-04-14 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Titration-based screening for evaluation of natural product extracts: identification of an aspulvinone family of luciferase inhibitors. Chem.Biol., 18, 2011
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3RDV
| Structure of the SLAIN2c-CLIPCG1 complex | Descriptor: | BETA-MERCAPTOETHANOL, CAP-Gly domain-containing linker protein 1, SLAIN motif-containing protein 2, ... | Authors: | Manatschal, C, Olieric, V, Steinmetz, M.O. | Deposit date: | 2011-04-01 | Release date: | 2011-06-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | SLAIN2 links microtubule plus end-tracking proteins and controls microtubule growth in interphase J.Cell Biol., 193, 2011
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3RNS
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3RO5
| Crystal structure of influenza A virus nucleoprotein with ligand | Descriptor: | Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone | Authors: | Pearce, B.C, Edavettal, S, McDonnell, P.A, Lewis, H.A, Steinbacher, S, Baldwin, E.T, Langley, D.R, Maskos, K, Mortl, M, Kiefersauer, R. | Deposit date: | 2011-04-25 | Release date: | 2011-09-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers. Proc.Natl.Acad.Sci.USA, 108, 2011
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3RNQ
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3RP7
| Crystal Structure of Klebsiella pneumoniae HpxO complexed with FAD and uric acid | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, URIC ACID, flavoprotein monooxygenase | Authors: | Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-04-26 | Release date: | 2012-05-16 | Last modified: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.042 Å) | Cite: | Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae. Biochemistry, 52, 2013
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3RTN
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3RMC
| Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol | Descriptor: | DNA (5'-D(*CP*GP*TP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase | Authors: | Aller, P, Duclos, S, Wallace, S.S, Doublie, S. | Deposit date: | 2011-04-20 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex. J.Mol.Biol., 412, 2011
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3R2L
| 1.85A resolution structure of Iron Soaked FtnA from Pseudomonas aeruginosa (pH 7.5) | Descriptor: | Bacterioferritin, FE (III) ION, SODIUM ION | Authors: | Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M. | Deposit date: | 2011-03-14 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr). Biochemistry, 50, 2011
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3R2S
| 2.1A resolution structure of Doubly Soaked FtnA from Pseudomonas aeruginosa (pH 6.0) | Descriptor: | Bacterioferritin, FE (III) ION, SODIUM ION, ... | Authors: | Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M. | Deposit date: | 2011-03-14 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr). Biochemistry, 50, 2011
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3R0H
| Structure of INAD PDZ45 in complex with NG2 peptide | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Inactivation-no-after-potential D protein, ... | Authors: | Wei, Z, Liu, W, Zhang, M. | Deposit date: | 2011-03-08 | Release date: | 2011-11-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The INAD scaffold is a dynamic, redox-regulated modulator of signaling in the Drosophila eye Cell(Cambridge,Mass.), 145, 2011
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3R5H
| Crystal Structure of ADP-AIR complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | Descriptor: | 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis Acta Crystallogr.,Sect.D, 70, 2014
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3R3W
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
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3R7F
| Crystal Structure of CP-bound Aspartate Transcarbamoylase from Bacillus subtilis | Descriptor: | Aspartate carbamoyltransferase, PHOSPHATE ION, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | Authors: | Cockrell, G.M, Harris, K.M, Puleo, D.E, Kantrowitz, E.R. | Deposit date: | 2011-03-22 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis. J.Mol.Biol., 411, 2011
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3R5V
| The structure of calcium bound Thermococcus thioreducens inorganic pyrophosphatase at 298K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D. | Deposit date: | 2011-03-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structure of calcium bound Thermococcus thioreducens inorganic pyrophosphatase at 298K To be Published
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3R6V
| Crystal structure of aspartase from Bacillus sp. YM55-1 with bound L-aspartate | Descriptor: | ASPARTIC ACID, Aspartase, CALCIUM ION | Authors: | Fibriansah, G, Puthan Veetil, V, Poelarends, G.J, Thunnissen, A.-M.W.H. | Deposit date: | 2011-03-22 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the catalytic mechanism of aspartate ammonia lyase. Biochemistry, 50, 2011
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3R9U
| Thioredoxin-disulfide reductase from Campylobacter jejuni. | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase | Authors: | Osipiuk, J, Zhou, M, Kwon, K, Anderson, K.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-03-25 | Release date: | 2011-04-06 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Thioredoxin-disulfide reductase from Campylobacter jejuni. To be Published
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