3W6D
 
 | | Crystal structure of catalytic domain of chitinase from Ralstonia sp. A-471 (E141Q) in complex with tetrasaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme-like chitinolytic enzyme | | Authors: | Arimori, T, Kawamoto, N, Okazaki, N, Nakazawa, M, Miyatake, K, Fukamizo, T, Ueda, M, Tamada, T. | | Deposit date: | 2013-02-14 | | Release date: | 2013-05-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structures of the Catalytic Domain of a Novel Glycohydrolase Family 23 Chitinase from Ralstonia sp. A-471 Reveals a Unique Arrangement of the Catalytic Residues for Inverting Chitin Hydrolysis
J.Biol.Chem., 288, 2013
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5GIU
 | | Crystal structure of Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site | | Descriptor: | PHOSPHATE ION, Proline dipeptidase, SODIUM ION | | Authors: | Are, V.N, Kumar, A, Singh, R, Ghosh, B, Jamdar, S.N, Makde, R.D. | | Deposit date: | 2016-06-25 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site
To Be Published
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1Z01
 | | 2-Oxoquinoline 8-Monooxygenase Component: Active site Modulation by Rieske-[2fe-2S] Center Oxidation/Reduction | | Descriptor: | 2-oxo-1,2-dihydroquinoline 8-monooxygenase, oxygenase component, FE (III) ION, ... | | Authors: | Martins, B.M, Svetlitchnaia, T, Dobbek, H. | | Deposit date: | 2005-03-01 | | Release date: | 2005-05-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 2-Oxoquinoline 8-Monooxygenase Oxygenase Component: Active Site Modulation by Rieske-[2Fe-2S] Center Oxidation/Reduction
Structure, 13, 2005
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5UOB
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, CHLORIDE ION, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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4A88
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4AJZ
 | | Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I. | | Deposit date: | 2012-02-21 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
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5GKJ
 | | Structure of EndoMS in apo form | | Descriptor: | Endonuclease EndoMS | | Authors: | Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T. | | Deposit date: | 2016-07-04 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease
Structure, 24, 2016
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4ADW
 | | CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE | | Descriptor: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Baiocco, P, Ilari, A, Colotti, G, Malatesta, F, Fiorillo, A. | | Deposit date: | 2012-01-04 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
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5C8E
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1ZMC
 | | Crystal Structure of Human dihydrolipoamide dehydrogenase complexed to NAD+ | | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Brautigam, C.A, Chuang, J.L, Tomchick, D.R, Machius, M, Chuang, D.T. | | Deposit date: | 2005-05-10 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal Structure of Human Dihydrolipoamide Dehydrogenase: NAD(+)/NADH Binding and the Structural Basis of Disease-causing Mutations
J.Mol.Biol., 350, 2005
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1ZQP
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5CAO
 | | EGFR kinase domain mutant "TMLR" with compound 29 | | Descriptor: | Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-29 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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5C69
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4AO5
 | | B. subtilis prophage dUTPase YosS in complex with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SODIUM ION, SPBC2 PROPHAGE-DERIVED DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEO TIDOHYDROLASE YOSS | | Authors: | Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-03-23 | | Release date: | 2013-04-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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1ZQO
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4A80
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4APZ
 | | Structure of B. subtilis genomic dUTPase YncF in complex with dU, PPi and Mg in P1 | | Descriptor: | 2'-DEOXYURIDINE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Garcia-Nafria, J, Timm, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-04-11 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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5CCP
 | | HISTIDINE 52 IS A CRITICAL RESIDUE FOR RAPID FORMATION OF CYTOCHROME C PEROXIDASE COMPOUND I | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Brown, K, Shaw, A, Miller, M.A, Kraut, J. | | Deposit date: | 1993-06-07 | | Release date: | 1993-10-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Histidine 52 is a critical residue for rapid formation of cytochrome c peroxidase compound I.
Biochemistry, 32, 1993
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4A09
 | | Structure of hsDDB1-drDDB2 bound to a 15 bp CPD-duplex (purine at D-1 position) at 3.1 A resolution (CPD 2) | | Descriptor: | 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*GP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*GP)-3', CALCIUM ION, ... | | Authors: | Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
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5V8T
 | | Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354 | | Descriptor: | 2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Lorimer, D.D, Dranow, D.M, Seufert, F, Abendroth, J, Holzgrabe, U. | | Deposit date: | 2017-03-22 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354
to be published
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1ZVI
 | | Rat Neuronal Nitric Oxide Synthase Oxygenase Domain | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric-oxide synthase, brain, ... | | Authors: | Matter, H, Kumar, H.S, Fedorov, R, Frey, A, Kotsonis, P, Hartmann, E, Frohlich, L.G, Reif, A, Pfleiderer, W, Scheurer, P, Ghosh, D.K, Schlichting, I, Schmidt, H.H. | | Deposit date: | 2005-06-02 | | Release date: | 2005-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of Isoform-Specific Inhibitors Targeting the Tetrahydrobiopterin Binding Site of Human Nitric Oxide Synthases.
J.Med.Chem., 48, 2005
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4AI9
 | | JMJD2A Complexed with Daminozide | | Descriptor: | CHLORIDE ION, DAMINOZIDE, GLYCEROL, ... | | Authors: | Chowdhury, R, Schofield, C.J. | | Deposit date: | 2012-02-08 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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2CPG
 | | TRANSCRIPTIONAL REPRESSOR COPG | | Descriptor: | CHLORIDE ION, TRANSCRIPTIONAL REPRESSOR COPG | | Authors: | Gomis-Rueth, F.X, Sola, M, Acebo, P, Parraga, A, Guasch, A, Eritja, R, Gonzalez, A, Espinosa, M, del Solar, G, Coll, M. | | Deposit date: | 1999-11-15 | | Release date: | 1999-11-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of plasmid-encoded transcriptional repressor CopG unliganded and bound to its operator.
EMBO J., 17, 1998
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4AB8
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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5G6A
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine, CHLORIDE ION, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2016-06-18 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
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