3I9V
 
 | | Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 2 mol/ASU | | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Sazanov, L.A, Berrisford, J.M. | | Deposit date: | 2009-07-13 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for the mechanism of respiratory complex I
J.Biol.Chem., 284, 2009
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2HII
 | | heterotrimeric PCNA sliding clamp | | Descriptor: | PCNA1 (SSO0397), PCNA2 (SSO1047), PCNA3 (SSO0405) | | Authors: | Pascal, J.M, Tsodikov, O.V, Ellenberger, T. | | Deposit date: | 2006-06-29 | | Release date: | 2006-11-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A Flexible Interface between DNA Ligase and PCNA Supports Conformational Switching and Efficient Ligation of DNA.
Mol.Cell, 24, 2006
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4BD6
 | | Bax domain swapped dimer in complex with BaxBH3 | | Descriptor: | APOPTOSIS REGULATOR BAX | | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-02-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
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1QDV
 | | N-TERMINAL DOMAIN, VOLTAGE-GATED POTASSIUM CHANNEL KV1.2 RESIDUES 33-131 | | Descriptor: | KV1.2 VOLTAGE-GATED POTASSIUM CHANNEL | | Authors: | Minor Jr, D.L, Lin, Y.-F, Mobley, B.C, Yu, M, Jan, Y.N, Jan, L.Y, Berger, J.M. | | Deposit date: | 1999-07-10 | | Release date: | 2000-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The polar T1 interface is linked to conformational changes that open the voltage-gated potassium channel.
Cell(Cambridge,Mass.), 102, 2000
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3EBP
 | | Glycogen Phosphorylase b/flavopiridol complex | | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Glycogen phosphorylase, muscle form | | Authors: | Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M. | | Deposit date: | 2008-08-28 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol
Food Chem.Toxicol., 61, 2013
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3IJD
 | | Uncharacterized protein Cthe_2304 from Clostridium thermocellum binds two copies of 5-methyl-5,6,7,8-tetrahydrofolic acid | | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, uncharacterized protein | | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Miller, S, Ozyurt, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-04 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Uncharacterized protein Cthe_2304 from Clostridium thermocellum binds two copies of 5-methyl-5,6,7,8-tetrahydrofolic acid
To be Published
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1NO6
 | | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy | | Descriptor: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | | Deposit date: | 2003-01-15 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
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4BIV
 | | Crystal structure of CpxAHDC (trigonal form) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, SENSOR PROTEIN CPXA | | Authors: | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | | Deposit date: | 2013-04-13 | | Release date: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation.
Plos Biol., 12, 2014
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3EMU
 | | Crystal structure of a leucine rich repeat and phosphatase domain containing protein from Entamoeba histolytica | | Descriptor: | SULFATE ION, leucine rich repeat and phosphatase domain containing protein | | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Hu, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a leucine rich repeat and phosphatase domain containing protein from Entamoeba histolytica
To be Published
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3EEZ
 | | Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Silicibacter pomeroyi | | Descriptor: | putative Mandelate racemase/muconate lactonizing enzyme | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Hu, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-09-07 | | Release date: | 2008-09-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Silicibacter pomeroyi
To be Published
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3N1O
 | | Crystal structure of IhhN | | Descriptor: | CALCIUM ION, Indian hedgehog protein, ZINC ION | | Authors: | Kavran, J.M, Leahy, D.J. | | Deposit date: | 2010-05-16 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner.
J.Biol.Chem., 285, 2010
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3DZT
 | | AeD7-leukotriene E4 complex | | Descriptor: | (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2008-07-30 | | Release date: | 2009-02-03 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
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3E03
 | | Crystal structure of a putative dehydrogenase from Xanthomonas campestris | | Descriptor: | CALCIUM ION, Short chain dehydrogenase | | Authors: | Sampathkumar, P, Wasserman, S, Rutter, M, Hu, S, Bain, K, Rodgers, L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-07-30 | | Release date: | 2008-09-16 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of a putative dehydrogenase from Xanthomonas campestris
To be Published
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4AZE
 | | Human DYRK1A in complex with Leucettine L41 | | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A | | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | | Deposit date: | 2012-06-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
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3ISA
 | | CRYSTAL STRUCTURE OF putative enoyl-CoA hydratase/isomerase FROM Bordetella parapertussis | | Descriptor: | CHLORIDE ION, GLYCEROL, Putative enoyl-CoA hydratase/isomerase | | Authors: | Patskovsky, Y, Malashkevich, V, Toro, R, Foti, R, Dickey, M, Miller, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-25 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | CRYSTAL STRUCTURE OF enoyl-CoA hydratase FROM Bordetella parapertussis
To be Published
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3IWA
 | | Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from Desulfovibrio vulgaris | | Descriptor: | CALCIUM ION, FAD-dependent pyridine nucleotide-disulphide oxidoreductase | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-09-02 | | Release date: | 2009-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from Desulfovibrio vulgaris
To be Published
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3DKD
 | | Crystal structure of the mimivirus NDK +Kpn-N62L-R107G triple mutant complexed with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | | Deposit date: | 2008-06-24 | | Release date: | 2009-08-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
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2IA1
 | | Crystal structure of protein BH3703 from Bacillus halodurans, Pfam DUF600 | | Descriptor: | BH3703 protein, GLYCEROL, SULFATE ION | | Authors: | Ramagopal, U.A, Russell, M, Toro, R, Freeman, J.C, Reyes, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-06 | | Release date: | 2006-10-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure of hypothetical protein BH3703 from Bacillus halodurans
To be Published
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1OAH
 | | Cytochrome c Nitrite Reductase from Desulfovibrio desulfuricans ATCC 27774: The relevance of the two calcium sites in the structure of the catalytic subunit (NrfA). | | Descriptor: | CALCIUM ION, CHLORIDE ION, CYTOCHROME C NITRITE REDUCTASE, ... | | Authors: | Cunha, C.A, Macieira, S, Dias, J.M, Almeida, G, Goncalves, L.L, Costa, C, Lampreia, J, Huber, R, Moura, J.J.G, Moura, I, Romao, M.J. | | Deposit date: | 2003-01-14 | | Release date: | 2003-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cytochrome C Nitrite Reductase from Desulfovibrio Desulfuricans Atcc 27774. The Relevance of the Two Calcium Sites in the Structure of the Catalytic Subunit (Nrfa)
J.Biol.Chem., 278, 2003
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3NS1
 | | Crystal Structure of Bovine Xanthine Oxidase in Complex with 6-Mercaptopurine | | Descriptor: | 9H-purine-6-thiol, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Cao, H, Pauff, J.M, Hille, R. | | Deposit date: | 2010-07-01 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Substrate orientation and catalytic specificity in the action of xanthine oxidase: the sequential hydroxylation of hypoxanthine to uric acid.
J.Biol.Chem., 285, 2010
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2HY3
 | | Crystal structure of the human tyrosine receptor phosphate gamma in complex with vanadate | | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION | | Authors: | Jin, X, Min, T, Bera, A, Mu, H, Sauder, J.M, Freeman, J.C, Reyes, C, Smith, D, Wasserman, S.R, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-04 | | Release date: | 2006-09-05 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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4AW0
 | | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket | | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | | Deposit date: | 2012-05-30 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Chem.Biol., 19, 2012
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4AZF
 | | Human DYRK2 in complex with Leucettine L41 | | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ... | | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | | Deposit date: | 2012-06-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
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1O71
 | | Crystal structure of the water-soluble state of the pore-forming cytolysin Sticholysin II complexed with glycerol | | Descriptor: | GLYCEROL, STICHOLYSIN II | | Authors: | Mancheno, J.M, Martinez-Ripoll, M, Gavilanes, J.G, Hermoso, J.A. | | Deposit date: | 2002-10-23 | | Release date: | 2003-11-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal and Electron Microscopy Structures of Sticholysin II Actinoporin Reveal Insights Into the Mechanism of Membrane Pore Formation
Structure, 11, 2003
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1OD0
 | | Family 1 b-glucosidase from Thermotoga maritima | | Descriptor: | BETA-GLUCOSIDASE A | | Authors: | Gloster, T, Zechel, D.L, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | | Deposit date: | 2003-02-12 | | Release date: | 2003-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases
J.Am.Chem.Soc., 125, 2003
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