7NTB
 
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2V30
 | | Human orotidine 5'-phosphate decarboxylase domain of uridine monophospate synthetase (UMPS) in complex with its product UMP. | | Descriptor: | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, URIDINE-5'-MONOPHOSPHATE | | Authors: | Moche, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-10 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Human Orotidine 5'-Decarboxylase Domain of Human Uridine Monophosphate Synthetase (Umps)
To be Published
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2UYO
 | | Crystal structure of ML2640c from Mycobacterium leprae in an hexagonal crystal form | | Descriptor: | HYPOTHETICAL PROTEIN ML2640 | | Authors: | Grana, M, Buschiazzo, A, Wehenkel, A, Haouz, A, Miras, I, Shepard, W, Alzari, P.M. | | Deposit date: | 2007-04-11 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of M. Leprae Ml2640C Defines a Large Family of Putative S-Adenosylmethionine- Dependent Methyltransferases in Mycobacteria.
Protein Sci., 16, 2007
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8QIJ
 | | Crystallographic Structure of a Salicylate Synthase from M. abscessus (Mab-SaS) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Cassetta, A, Covaceuszach, S, Tomaiuolo, M, Meneghetti, F, Villa, S, Mori, M, Chiarelli, L.R, Mangiatordi, G.F. | | Deposit date: | 2023-09-12 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.073 Å) | | Cite: | Structural basis for specific inhibition of salicylate synthase from Mycobacterium abscessus.
Eur.J.Med.Chem., 265, 2024
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3O70
 | | PHD-type zinc finger of human PHD finger protein 13 | | Descriptor: | GLYCEROL, PHD finger protein 13, ZINC ION | | Authors: | Lam, R, Bian, C.B, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-29 | | Release date: | 2010-09-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.
Elife, 5, 2016
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4S11
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2XAS
 | | Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e) | | Descriptor: | 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
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6SPW
 | | Structure of protein kinase CK2 catalytic subunit with the CK2beta-competitive bisubstrate inhibitor ARC3140 | | Descriptor: | 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid, ARC3140, Casein kinase II subunit alpha, ... | | Authors: | Niefind, K, Schnitzler, A. | | Deposit date: | 2019-09-03 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Bioorg.Chem., 96, 2020
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1PMI
 | | Candida Albicans Phosphomannose Isomerase | | Descriptor: | PHOSPHOMANNOSE ISOMERASE, ZINC ION | | Authors: | Cleasby, A, Skarzynski, T, Wonacott, A, Davies, G.J, Hubbard, R.E, Proudfoot, A.E.I, Wells, T.N.C, Payton, M.A, Bernard, A.R. | | Deposit date: | 1996-04-03 | | Release date: | 1997-03-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution.
Nat.Struct.Biol., 3, 1996
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1AB3
 | | RIBOSOMAL PROTEIN S15 FROM THERMUS THERMOPHILUS, NMR, 26 STRUCTURES | | Descriptor: | RIBOSOMAL RNA BINDING PROTEIN S15 | | Authors: | Berglund, H, Rak, A, Serganov, A, Garber, M, Hard, T. | | Deposit date: | 1997-02-03 | | Release date: | 1997-04-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the ribosomal RNA binding protein S15 from Thermus thermophilus.
Nat.Struct.Biol., 4, 1997
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3O7A
 | | Crystal structure of PHF13 in complex with H3K4me3 | | Descriptor: | GLYCEROL, H3K4ME3 HISTONE 11MER-PEPTIDE, PHD finger protein 13 variant, ... | | Authors: | Bian, C.B, Lam, R, Xu, C, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-30 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.
Elife, 5, 2016
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2XAH
 | | Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine | | Descriptor: | 3-PHENYLPROPANAL, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
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7OK8
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2Q58
 | | Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with zoledronate | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID | | Authors: | Chruszcz, M, Artz, J, Zheng, H, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-31 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
Chem.Biol., 15, 2008
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2I16
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | | Deposit date: | 2006-08-13 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.81 Å) | | Cite: | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
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1BZA
 | | BETA-LACTAMASE TOHO-1 FROM ESCHERICHIA COLI TUH12191 | | Descriptor: | BETA-LACTAMASE, SULFATE ION | | Authors: | Ibuka, A, Taguchi, A, Ishiguro, M, Fushinobu, S, Ishii, Y, Kamitori, S, Okuyama, K, Yamaguchi, K, Konno, M, Matsuzawa, H. | | Deposit date: | 1998-10-28 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the E166A mutant of extended-spectrum beta-lactamase Toho-1 at 1.8 A resolution.
J.Mol.Biol., 285, 1999
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6TMK
 | | Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, composite model | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | | Deposit date: | 2019-12-04 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
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2W9X
 | | The active site of a carbohydrate esterase displays divergent catalytic and non-catalytic binding functions | | Descriptor: | GLYCEROL, PUTATIVE ACETYL XYLAN ESTERASE | | Authors: | Montanier, C, Money, V.A, Pires, V, Flint, J.E, Benedita, P.A, Goyal, A, Prates, J.A, Izumi, A, Stalbrand, H, Morland, C, Cartmell, A, Kolenova, K, Topakas, E, Dobson, E, Bolam, D.N, Davies, G.J, Fontes, C.M, Gilbert, H.J. | | Deposit date: | 2009-01-29 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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2W8G
 | | Aplysia californica AChBP bound to in silico compound 35 | | Descriptor: | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
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6FQF
 | | THE X-RAY STRUCTURE OF FERRIC-BETA4 HUMAN HEMOGLOBIN | | Descriptor: | Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mazzarella, L, Merlino, A, Balasco, N, Balsamo, A, Vergara, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the ferric homotetrameric beta4human hemoglobin.
Biophys. Chem., 240, 2018
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1C53
 | | S-CLASS CYTOCHROMES C HAVE A VARIETY OF FOLDING PATTERNS: STRUCTURE OF CYTOCHROME C-553 FROM DESULFOVIBRIO VULGARIS DETERMINED BY THE MULTI-WAVELENGTH ANOMALOUS DISPERSION METHOD | | Descriptor: | CYTOCHROME C553, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nakagawa, A, Higuchi, Y, Yasuoka, N, Katsube, Y, Yaga, T. | | Deposit date: | 1991-08-26 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | S-class cytochromes c have a variety of folding patterns: structure of cytochrome c-553 from Desulfovibrio vulgaris determined by the multi-wavelength anomalous dispersion method.
J.Biochem.(Tokyo), 108, 1990
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4ESA
 | | X-ray structure of carbonmonoxy hemoglobin of Eleginops maclovinus | | Descriptor: | CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ... | | Authors: | Merlino, A, Vitagliano, L, Mazzarella, L, Vergara, A. | | Deposit date: | 2012-04-23 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus.
Mol Biosyst, 8, 2012
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4AGI
 | | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with seleno fucoside. | | Descriptor: | FUCOSE-SPECIFIC LECTIN FLEA, methyl 1-seleno-alpha-L-fucopyranoside | | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | | Deposit date: | 2012-01-30 | | Release date: | 2013-02-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Soluble Fucose-Specific Lectin from Aspergillus Fumigatus Conidia - Structure, Specificity and Possible Role in Fungal Pathogenicity.
Plos One, 8, 2013
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2WJP
 | | CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR | | Descriptor: | AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D. | | Deposit date: | 2009-05-28 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase.
J.Med.Chem., 53, 2010
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3UUZ
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-11-29 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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