2QZU
 
 | | Crystal structure of the putative sulfatase yidJ from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR123 | | Descriptor: | Putative sulfatase yidJ | | Authors: | Vorobiev, S.M, Abashidze, M, Seetharaman, J, Wang, D, Cunningham, K, Maglaqui, M, Owens, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-08-17 | | Release date: | 2007-09-04 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray crystal structure of the putative sulfatase yidJ from Bacteroides fragilis.
To be Published
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1JVB
 | | ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS | | Descriptor: | NAD(H)-DEPENDENT ALCOHOL DEHYDROGENASE, ZINC ION | | Authors: | Esposito, L, Sica, F, Zagari, A, Mazzarella, L. | | Deposit date: | 2001-08-29 | | Release date: | 2002-08-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the alcohol dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus at 1.85 A resolution.
J.Mol.Biol., 318, 2002
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1EEH
 | | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | | Descriptor: | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE | | Authors: | Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O. | | Deposit date: | 2000-01-31 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase.
J.Mol.Biol., 301, 2000
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4P7E
 | | Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 | | Descriptor: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Menet, C.C.J, Fletcher, S, Van Lommen, G, Geney, R, Blanc, J, Smits, K, Jouannigot, N, van der Aar, E.M, Clement-Lacroix, P, Lepescheux, L, Galien, R, Vayssiere, B, Nelles, L, Christophe, T, Brys, R, Uhring, M, Ciesielski, F, Van Rompaey, L. | | Deposit date: | 2014-03-27 | | Release date: | 2014-11-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634.
J.Med.Chem., 57, 2014
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2CD7
 | | Staphylococcus aureus pI258 arsenate reductase (ArsC) H62Q mutant | | Descriptor: | PROTEIN ARSC, SODIUM ION | | Authors: | Buts, L, Roos, G, Van Belle, K, Brosens, E, Loris, R, Wyns, L, Messens, J. | | Deposit date: | 2006-01-23 | | Release date: | 2006-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interplay between Ion Binding and Catalysis in the Thioredoxin-Coupled Arsenate Reductase Family.
J.Mol.Biol., 360, 2006
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4YQH
 | | 2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A | | Descriptor: | 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Burdi, D, Herman, L, Wang, T. | | Deposit date: | 2015-03-13 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.308 Å) | | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
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1XMA
 | | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | | Descriptor: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | | Authors: | Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-10-01 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
To be published
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6CSV
 | | The structure of the Cep63-Cep152 heterotetrameric complex | | Descriptor: | Centrosomal protein of 63 kDa,Centrosomal protein of 152 kDa | | Authors: | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | | Deposit date: | 2018-03-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular architecture of a cylindrical self-assembly at human centrosomes.
Nat Commun, 10, 2019
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2AS5
 | | Structure of the DNA binding domains of NFAT and FOXP2 bound specifically to DNA. | | Descriptor: | 5'-D(AP*AP*CP*TP*AP*TP*GP*AP*AP*AP*CP*AP*AP*AP*TP*TP*TP*TP*CP*CP*TP*)-3', 5'-D(TP*TP*AP*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*TP*TP*TP*CP*AP*TP*AP*GP*)-3', Forkhead box protein P2, ... | | Authors: | Wu, Y, Stroud, J.C, Borde, M, Bates, D.L, Guo, L, Han, A, Rao, A, Chen, L. | | Deposit date: | 2005-08-22 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | FOXP3 Controls Regulatory T Cell Function through Cooperation with NFAT.
Cell(Cambridge,Mass.), 126, 2006
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2J5H
 | | NMR analysis of mouse CRIPTO CFC domain | | Descriptor: | TERATOCARCINOMA-DERIVED GROWTH FACTOR | | Authors: | Calvanese, L, Saporito, A, Marasco, D, D'Auria, G, Minchiotti, G, Pedone, C, Paolillo, L, Falcigno, L, Ruvo, M. | | Deposit date: | 2006-09-18 | | Release date: | 2006-10-02 | | Last modified: | 2018-05-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of mouse Cripto CFC domain and its inactive variant Trp107Ala.
J. Med. Chem., 49, 2006
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2VEE
 | | Structure of protoglobin from Methanosarcina acetivorans C2A | | Descriptor: | PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | | Deposit date: | 2007-10-22 | | Release date: | 2008-01-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity.
Embo Rep., 9, 2008
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1JJZ
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1XM3
 | | Crystal structure of Northeast Structural Genomics Target SR156 | | Descriptor: | Thiazole biosynthesis protein thiG | | Authors: | Kuzin, A, Abashidze, M, Vorobiev, S, Forouhar, F, Acton, T, Ma, L, Xiao, R, Montelione, G, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-10-01 | | Release date: | 2004-10-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Northeast Structural Genomics Target SR156
To be Published
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2VEU
 | | Crystal structure of protein tyrosine phosphatase 1B in complex with an isothiazolidinone-containing inhibitor | | Descriptor: | N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
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2C7M
 | | Human Rabex-5 residues 1-74 in complex with Ubiquitin | | Descriptor: | RAB GUANINE NUCLEOTIDE EXCHANGE FACTOR 1, UBIQUITIN, ZINC ION | | Authors: | Penengo, L, Mapelli, M, Murachelli, A.G, Confalioneri, S, Magri, L, Musacchio, A, Di Fiore, P.P, Polo, S, Schneider, T.R. | | Deposit date: | 2005-11-25 | | Release date: | 2006-02-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the ubiquitin binding domains of rabex-5 reveals two modes of interaction with ubiquitin.
Cell, 124, 2006
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1EOS
 | | CRYSTAL STRUCTURE OF RIBONUCLEASE A COMPLEXED WITH URIDYLYL(2',5')GUANOSINE (PRODUCTIVE BINDING) | | Descriptor: | RIBONUCLEASE PANCREATIC, URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | | Authors: | Vitagliano, L, Merlino, A, Zagari, A, Mazzarella, L. | | Deposit date: | 2000-03-24 | | Release date: | 2000-08-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Productive and nonproductive binding to ribonuclease A: X-ray structure of two complexes with uridylyl(2',5')guanosine.
Protein Sci., 9, 2000
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1XKQ
 | | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain reductase family member (5D234) | | Authors: | Schormann, N, Zhou, J, Karpova, E, Zhang, Y, Symersky, J, Bunzel, B, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKinstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-29 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor
To be Published
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2VUB
 | | CCDB, A TOPOISOMERASE POISON FROM E. COLI | | Descriptor: | CCDB, CHLORIDE ION | | Authors: | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | Deposit date: | 1998-04-21 | | Release date: | 1998-06-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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1HMU
 | | ACTIVE SITE OF CHONDROITINASE AC LYASE REVEALED BY THE STRUCTURE OF ENZYME-OLIGOSACCHARIDE COMPLEXES AND MUTAGENESIS | | Descriptor: | 2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | | Authors: | Huang, W, Boju, L, Tkalec, L, Su, H, Yang, H.O, Gunay, N.S, Linhardt, R.J, Kim, Y.S, Matte, A, Cygler, M. | | Deposit date: | 2000-12-05 | | Release date: | 2001-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Active site of chondroitin AC lyase revealed by the structure of enzyme-oligosaccharide complexes and mutagenesis.
Biochemistry, 40, 2001
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5ZAS
 | | Crystal structure of 5-formylcytosine containing decamer dsDNA | | Descriptor: | BICARBONATE ION, DNA (5'-D(*CP*CP*AP*GP*(5FC)P*GP*CP*TP*GP*G)-3') | | Authors: | Fu, T.R, Zhang, L. | | Deposit date: | 2018-02-08 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
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1T25
 | | Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, GLYCEROL, ... | | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | Deposit date: | 2004-04-20 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
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4MVF
 | | Crystal Structure of Plasmodium falciparum CDPK2 complexed with inhibitor staurosporine | | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase 2, GLYCEROL, ... | | Authors: | Lauciello, L, Pernot, L, Scapozza, L, Perozzo, R. | | Deposit date: | 2013-09-24 | | Release date: | 2014-09-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | P. falciparum Calcium-Dependent Protein Kinase 2 (PfCDPK2): First Crystal Structure and Virtual Ligand Screening
To be Published
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2W2P
 | | PCSK9-deltaC D374A mutant bound to WT EGF-A of LDLR | | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | | Deposit date: | 2008-11-03 | | Release date: | 2008-11-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants.
J.Biol.Chem., 284, 2009
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2Q89
 | | Crystal structure of EhuB in complex with hydroxyectoine | | Descriptor: | (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CADMIUM ION, Putative ABC transporter amino acid-binding protein | | Authors: | Hanekop, N, Hoeing, M, Sohn-Bosser, L, Jebbar, M, Schmitt, L, Bremer, E. | | Deposit date: | 2007-06-09 | | Release date: | 2008-01-01 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the ligand-binding protein EhuB from Sinorhizobium meliloti reveals substrate recognition of the compatible solutes ectoine and hydroxyectoine.
J.Mol.Biol., 374, 2007
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2AUY
 | | Pterocarpus angolensis lectin in complex with the trisaccharide GlcNAc(b1-2)Man(a1-3)Man | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-methyl alpha-D-mannopyranoside, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Buts, L, Garcia-Pino, A, Imberty, A, Amiot, N, Boons, G.-J, Beeckmans, S, Versees, W, Wyns, L, Loris, R. | | Deposit date: | 2005-08-29 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for the recognition of complex-type biantennary oligosaccharides by Pterocarpus angolensis lectin.
Febs J., 273, 2006
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