2X8I
 
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | Descriptor: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | | Deposit date: | 2010-03-09 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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1UXM
 | | A4V mutant of human SOD1 | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION | | Authors: | Hough, M.A, Grossmann, J.G, Antonyuk, S.V, Strange, R.W, Doucette, P.A, Rodriguez, J.A, Whitson, L.J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | | Deposit date: | 2004-02-26 | | Release date: | 2004-03-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dimer Destabilization in Superoxide Dismutase May Result in Disease-Causing Properties: Structures of Motor Neuron Disease Mutants
Proc.Natl.Acad.Sci.USA, 101, 2004
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2WK8
 | | Structure of holo form of Vibrio cholerae CqsA | | Descriptor: | CAI-1 AUTOINDUCER SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L. | | Deposit date: | 2009-06-08 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
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2WK7
 | | Structure of apo form of Vibrio cholerae CqsA | | Descriptor: | CAI-1 AUTOINDUCER SYNTHASE, SULFATE ION | | Authors: | Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L. | | Deposit date: | 2009-06-08 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
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3PI1
 | | Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 9.0 | | Descriptor: | Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | Deposit date: | 2010-11-05 | | Release date: | 2011-11-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata
To be Published
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2WW5
 | | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae at 1.6 A resolution | | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L, Menendez, M. | | Deposit date: | 2009-10-21 | | Release date: | 2010-04-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
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2X0K
 | | Crystal structure of modular FAD synthetase from Corynebacterium ammoniagenes | | Descriptor: | PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION | | Authors: | Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Medina, M, Frago, S. | | Deposit date: | 2009-12-15 | | Release date: | 2010-05-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Oligomeric State in the Crystal Structure of Modular Fad Synthetase Provides Insights Into its Sequential Catalysis in Prokaryotes
J.Mol.Biol., 400, 2010
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2XI9
 | | Pilus-presented adhesin, Spy0125 (Cpa), P1 form | | Descriptor: | ANCILLARY PROTEIN 1 | | Authors: | Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J. | | Deposit date: | 2010-06-28 | | Release date: | 2010-08-04 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Highly Unusual Thioester Bond in a Pilus Adhesin is Required for Efficient Host Cell Interaction
J.Biol.Chem., 285, 2010
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1OU4
 | | Native PNP +Talo | | Descriptor: | 6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase | | Authors: | Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, W.B, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J. | | Deposit date: | 2003-03-24 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system.
Chem.Biol., 10, 2003
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2XCN
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-23 | | Release date: | 2010-06-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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1US8
 | | The Rad50 signature motif: essential to ATP binding and biological function | | Descriptor: | DNA DOUBLE-STRAND BREAK REPAIR RAD50 ATPASE | | Authors: | Moncalian, G, Lengsfeld, B, Bhaskara, V, Hopfner, K.P, Karcher, A, Alden, E, Tainer, J.A, Paull, T.T. | | Deposit date: | 2003-11-20 | | Release date: | 2003-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Rad50 Signature Motif: Essential to ATP Binding and Biological Function
J.Mol.Biol., 335, 2004
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1VC6
 | | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Product with C75U Mutaion, cleaved in Imidazole and Mg2+ solutions | | Descriptor: | Hepatitis Delta virus ribozyme, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A | | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | | Deposit date: | 2004-03-04 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis
NATURE, 429, 2004
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1XL9
 | | Crystal Structure of Dihydrodipicolinate Synthase DapA-2 (BA3935) from Bacillus Anthracis. | | Descriptor: | dihydrodipicolinate synthase | | Authors: | Blagova, E, Levdikov, V, Milioti, N, Fogg, M.J, Kalliomaa, A.K, Brannigan, J.A, Wilson, K.S, Wilkinson, A.J. | | Deposit date: | 2004-09-30 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of dihydrodipicolinate synthase (BA3935) from Bacillus anthracis at 1.94 A resolution.
Proteins, 62, 2006
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1XKY
 | | Crystal Structure of Dihydrodipicolinate Synthase DapA-2 (BA3935) from Bacillus Anthracis at 1.94A Resolution. | | Descriptor: | POTASSIUM ION, dihydrodipicolinate synthase | | Authors: | Levdikov, V, Blagova, E, Fogg, M.J, Brannigan, J.A, Milioti, N, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2004-09-30 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of dihydrodipicolinate synthase (BA3935) from Bacillus anthracis at 1.94 A resolution
Proteins, 62, 2006
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1XMP
 | | Crystal Structure of PurE (BA0288) from Bacillus anthracis at 1.8 Resolution | | Descriptor: | phosphoribosylaminoimidazole carboxylase | | Authors: | Boyle, M.P, Kalliomaa, A.K, Levdikov, V, Blagova, E, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2004-10-04 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of PurE (BA0288) from Bacillus anthracis at 1.8 A resolution
Proteins, 61, 2005
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1XRE
 | | Crystal Structure of SodA-2 (BA5696) from Bacillus anthracis at 1.8A Resolution. | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | | Authors: | Boucher, I.W, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2004-10-14 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of two superoxide dismutases from Bacillus anthracis reveal a novel active centre.
Acta Crystallogr.,Sect.F, 61, 2005
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1XEQ
 | | Crystal tructure of RNA binding domain of influenza B virus non-structural protein | | Descriptor: | BROMIDE ION, Nonstructural protein NS1 | | Authors: | Khan, J.A, Yin, C, Krug, R.M, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-09-11 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conserved surface features form the double-stranded RNA binding site of non-structural protein 1 (NS1) from influenza A and B viruses.
J.Biol.Chem., 282, 2007
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1XIV
 | | Plasmodium falciparum lactate dehydrogenase complexed with 2-({4-chloro-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol | | Descriptor: | 2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL, GLYCEROL, L-lactate dehydrogenase | | Authors: | Conners, R, Cameron, A, Read, J.A, Schambach, F, Sessions, R.B, Brady, R.L. | | Deposit date: | 2004-09-22 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mapping the binding site for gossypol-like inhibitors of Plasmodium
falciparum lactate dehydrogenase
MOL.BIOCHEM.PARASITOL., 142, 2005
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1XT8
 | | Crystal Structure of Cysteine-Binding Protein from Campylobacter jejuni at 2.0 A Resolution | | Descriptor: | CYSTEINE, GLYCEROL, putative amino-acid transporter periplasmic solute-binding protein | | Authors: | Muller, A, Thomas, G.H, Horler, R, Brannigan, J.A, Blagova, E, Levdikov, V.M, Fogg, M.J, Wilson, K.S, Wilkinson, A.J, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-10-21 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An ATP-binding cassette-type cysteine transporter in Campylobacter jejuni inferred from the structure of an extracytoplasmic solute receptor protein.
Mol.Microbiol., 57, 2005
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1XVK
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1T3G
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1T6G
 | | Crystal structure of the Triticum aestivum xylanase inhibitor-I in complex with aspergillus niger xylanase-I | | Descriptor: | Endo-1,4-beta-xylanase I, GLYCEROL, xylanase inhibitor | | Authors: | Sansen, S, De Ranter, C.J, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A. | | Deposit date: | 2004-05-06 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for inhibition of Aspergillus niger xylanase by triticum aestivum xylanase inhibitor-I
J.Biol.Chem., 279, 2004
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1XBV
 | | Crystal structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound D-ribulose 5-phosphate | | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, MAGNESIUM ION, RIBULOSE-5-PHOSPHATE | | Authors: | Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-08-31 | | Release date: | 2005-04-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase
Biochemistry, 44, 2005
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1X7G
 | | Actinorhodin Polyketide Ketoreductase, act KR, with NADP bound | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketoacyl reductase | | Authors: | Korman, T.P, Hill, J.A, Vu, T.N. | | Deposit date: | 2004-08-13 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity
Biochemistry, 43, 2004
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1X7H
 | | Actinorhodin Polyketide Ketoreductase, with NADPH bound | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketoacyl reductase | | Authors: | Korman, T.P, Hill, J.A, Vu, T.N. | | Deposit date: | 2004-08-13 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity
Biochemistry, 43, 2004
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