PDB: 66478 resultsInfo pagesStatus searchChemie searchBIRD

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4CL8	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor Descriptor: 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Barrack, K.L, Hunter, W.N. Deposit date: 2014-01-13 Release date: 2015-01-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4CLO	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor Descriptor: 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Barrack, K.L, Hunter, W.N. Deposit date: 2014-01-15 Release date: 2015-01-21 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4ID6	Crystal Structure of Staphylococcal nuclease mutant V23I/I72L Descriptor: Thermonuclease Authors: Hansen, S.W, Janowska, K, Stites, W.E, Sakon, J. Deposit date: 2012-12-11 Release date: 2013-03-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.898 Å) Cite: Crystal Structure of Staphylococcal nuclease mutant V23I/I72L To be Published
4CM1	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... Authors: Barrack, K.L, Hunter, W.N. Deposit date: 2014-01-15 Release date: 2015-01-21 Last modified: 2017-07-05 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4CGQ	Full length Tah1 bound to HSP90 peptide SRMEEVD Descriptor: CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA, TPR REPEAT-CONTAINING PROTEIN ASSOCIATED WITH HSP90 Authors: Roe, S.M, Pal, M. Deposit date: 2013-11-26 Release date: 2014-12-17 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Tah1 Helix-Swap Dimerization Prevents Mixed Hsp90 Co-Chaperone Complexes Acta Crystallogr.,Sect.F, 71, 2015
3PSK	Crystal Structure of the Spt6 Tandem SH2 Domain from Saccharomyces cerevisiae, Form Native Spt6 (1247-1451) Descriptor: SULFATE ION, Transcription elongation factor SPT6 Authors: Close, D, Hill, C.P. Deposit date: 2010-12-01 Release date: 2011-03-30 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structures of the S. cerevisiae Spt6 core and C-terminal tandem SH2 domain. J.Mol.Biol., 408, 2011
4CMI	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor Descriptor: 2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Barrack, K.L, Hunter, W.N. Deposit date: 2014-01-16 Release date: 2015-01-21 Last modified: 2017-07-05 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4CMA	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor Descriptor: 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Barrack, K.L, Hunter, W.N. Deposit date: 2014-01-15 Release date: 2015-01-21 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4FRA	Crystal Structure of ABBA+UDP+Gal at pH 5.0 with MPD as the cryoprotectant Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, ... Authors: Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. Deposit date: 2012-06-26 Release date: 2013-12-25 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.43 Å) Cite: pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
4D92	Salmonella typhimurium D-Cysteine desulfhydrase soaked with beta-chloro-D-alanine shows pyruvate bound 4 A away from active site Descriptor: BENZAMIDINE, D-cysteine desulfhydrase, PYRUVIC ACID, ... Authors: Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. Deposit date: 2012-01-11 Release date: 2012-05-30 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase. Plos One, 7, 2012
4FQA	Crystal structure of toxic effector Tse1 Descriptor: toxic effector Tse1 Authors: Li, L, Zhang, W, Wang, T. Deposit date: 2012-06-25 Release date: 2013-06-26 Last modified: 2018-03-07 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural insight on toxic effector Tse1 To be Published
4D6F	Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A, X01 mutant) Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose Authors: Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. Deposit date: 2014-11-11 Release date: 2014-11-26 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
4D6I	Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A L19 mutant) Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose Authors: Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. Deposit date: 2014-11-11 Release date: 2014-11-26 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
4D8T	Crystal structure of D-Cysteine desulfhydrase from Salmonella typhimurium at 2.2 A resolution Descriptor: BENZAMIDINE, CHLORIDE ION, D-cysteine desulfhydrase, ... Authors: Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. Deposit date: 2012-01-11 Release date: 2012-05-30 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase. Plos One, 7, 2012
4D9F	D-Cysteine desulfhydrase from Salmonella typhimurium complexed with D-cycloserine (DCS) Descriptor: BENZAMIDINE, D-Cysteine desulfhydrase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE Authors: Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. Deposit date: 2012-01-11 Release date: 2012-05-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase. Plos One, 7, 2012
4D5C	tetracycline repressor class J, apo form Descriptor: SULFATE ION, TETRACYCLINE REPRESSOR PROTEIN TETR Authors: Palm, G.J, Quast, J, Hinrichs, W. Deposit date: 2014-11-03 Release date: 2016-01-20 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Domain Movement in Tetracycline Repressor Classes To be Published
4D6H	Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A X02 mutant) Descriptor: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ... Authors: Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. Deposit date: 2014-11-11 Release date: 2014-11-26 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
3TFR	Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CF2)PP in the active site Descriptor: 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H. Deposit date: 2011-08-16 Release date: 2012-03-21 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta. Chembiochem, 13, 2012
4D8W	Salmonella typhimurium D-Cysteine desulfhydrase soaked with D-cys shows pyruvate bound 4 A away from active site Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, CHLORIDE ION, ... Authors: Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. Deposit date: 2012-01-11 Release date: 2012-05-30 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase. Plos One, 7, 2012
6N2T	Ternary complex crystal structure of DNA polymerase Beta with 5-hydroxymethyl-dC (5-hmC) at the templating position Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(5HC)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2018-11-14 Release date: 2019-03-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Molecular basis for the faithful replication of 5-methylcytosine and its oxidized forms by DNA polymerase beta. J.Biol.Chem., 294, 2019
4CMG	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor Descriptor: 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Barrack, K.L, Hunter, W.N. Deposit date: 2014-01-16 Release date: 2015-01-21 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4HBN	Crystal structure of the human HCN4 channel C-terminus carrying the S672R mutation Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 Authors: Xu, X, Marni, F, Wu, X, Su, Z, Musayev, F, Shrestha, S, Xie, C, Gao, W, Liu, Q, Zhou, L. Deposit date: 2012-09-28 Release date: 2013-01-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Local and Global Interpretations of a Disease-Causing Mutation near the Ligand Entry Path in Hyperpolarization-Activated cAMP-Gated Channel. Structure, 20, 2012
4CMC	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor Descriptor: N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 Authors: Barrack, K.L, Hunter, W.N. Deposit date: 2014-01-16 Release date: 2015-01-21 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
6NPP	Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments Descriptor: 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid, EBNA1, Epstein-Barr nuclear antigen 1 Authors: Messick, T.E. Deposit date: 2019-01-18 Release date: 2019-03-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth. Sci Transl Med, 11, 2019
4EGP	The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid Descriptor: CHLORIDE ION, Cytochrome P450, GLYCEROL, ... Authors: Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. Deposit date: 2012-03-31 Release date: 2013-02-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3 Å) Cite: Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012

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