2X8I
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![BU of 2x8i by Molmil](/molmil-images/mine/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
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![BU of 1uxm by Molmil](/molmil-images/mine/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
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![BU of 2wk8 by Molmil](/molmil-images/mine/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
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![BU of 2wk7 by Molmil](/molmil-images/mine/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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2WW5
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![BU of 2ww5 by Molmil](/molmil-images/mine/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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3PI1
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![BU of 3pi1 by Molmil](/molmil-images/mine/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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2X0K
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![BU of 2x0k by Molmil](/molmil-images/mine/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
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![BU of 2xi9 by Molmil](/molmil-images/mine/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
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![BU of 1ou4 by Molmil](/molmil-images/mine/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
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![BU of 2xcn by Molmil](/molmil-images/mine/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
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![BU of 1us8 by Molmil](/molmil-images/mine/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
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![BU of 1vc6 by Molmil](/molmil-images/mine/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
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![BU of 1xl9 by Molmil](/molmil-images/mine/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
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![BU of 1xky by Molmil](/molmil-images/mine/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
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![BU of 1xmp by Molmil](/molmil-images/mine/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
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![BU of 1xre by Molmil](/molmil-images/mine/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
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![BU of 1xeq by Molmil](/molmil-images/mine/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
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![BU of 1xiv by Molmil](/molmil-images/mine/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
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![BU of 1xt8 by Molmil](/molmil-images/mine/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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![BU of 1xvk by Molmil](/molmil-images/mine/1xvk) | |
1T3G
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1T6G
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![BU of 1t6g by Molmil](/molmil-images/mine/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
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![BU of 1xbv by Molmil](/molmil-images/mine/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
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![BU of 1x7g by Molmil](/molmil-images/mine/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
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![BU of 1x7h by Molmil](/molmil-images/mine/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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