4RO8
 
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1L98
 | | PERTURBATION OF TRP 138 IN T4 LYSOZYME BY MUTATIONS AT GLN 105 USED TO CORRELATE CHANGES IN STRUCTURE, STABILITY, SOLVATION, AND SPECTROSCOPIC PROPERTIES | | Descriptor: | BETA-MERCAPTOETHANOL, T4 LYSOZYME | | Authors: | Pjura, P, Mcintosh, L.P, Wozniak, J.A, Matthews, B.W. | | Deposit date: | 1992-07-13 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Perturbation of Trp 138 in T4 lysozyme by mutations at Gln 105 used to correlate changes in structure, stability, solvation, and spectroscopic properties.
Proteins, 15, 1993
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1LW1
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3EPM
 | | Crystal structure of Caulobacter crescentus ThiC | | Descriptor: | 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, SULFATE ION, Thiamine biosynthesis protein thiC, ... | | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-10-28 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
Nat.Chem.Biol., 4, 2008
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3WCM
 | | The complex structure of HsSQS wtih ligand, ER119884 | | Descriptor: | (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase | | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | | Deposit date: | 2013-05-28 | | Release date: | 2014-06-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
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3EBD
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-27 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3ERH
 | | First structural evidence of substrate specificity in mammalian peroxidases: Crystal structures of substrate complexes with lactoperoxidases from two different species | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | | Authors: | Sheikh, I.A, Singh, N, Singh, A.K, Sinha, M, Singh, S.B, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2008-10-02 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Evidence of Substrate Specificity in Mammalian Peroxidases: STRUCTURE OF THE THIOCYANATE COMPLEX WITH LACTOPEROXIDASE AND ITS INTERACTIONS AT 2.4 A RESOLUTION
J.Biol.Chem., 284, 2009
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2XNX
 | | BC1 fragment of streptococcal M1 protein in complex with human fibrinogen | | Descriptor: | FIBRINOGEN ALPHA CHAIN, FIBRINOGEN BETA CHAIN, FIBRINOGEN GAMMA CHAIN, ... | | Authors: | Macheboeuf, P, Y Fu, C, Zinkernagel, A.S, Johnson, J.E, Nizet, V, Ghosh, P. | | Deposit date: | 2010-08-06 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Streptococcal M1 Protein Constructs a Pathological Host Fibrinogen Network
Nature, 472, 2011
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1QFQ
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2XVY
 | | Cobalt chelatase CbiK (periplasmic) from Desulvobrio vulgaris Hildenborough (co-crystallised with cobalt and SHC) | | Descriptor: | CHELATASE, PUTATIVE, COBALT (II) ION, ... | | Authors: | Romao, C.V, Lobo, S.A.L, Carrondo, M.A, Saraiva, L.M, Matias, P.M. | | Deposit date: | 2010-10-28 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Desulfovibrio vulgaris CbiK(P) cobaltochelatase: evolution of a haem binding protein orchestrated by the incorporation of two histidine residues.
Environ. Microbiol., 19, 2017
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3WC9
 | | The complex structure of HsSQS wtih ligand, FSPP | | Descriptor: | S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase | | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | | Deposit date: | 2013-05-26 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
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4J8A
 | | Irradiated-state structure of sfGFP containing the unnatural amino acid p-azido-phenylalanine at residue 145 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | | Authors: | Reddington, S.C, Jones, D.D, Rizkallah, P.J, Tippmann, E.M. | | Deposit date: | 2013-02-14 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Different Photochemical Events of a Genetically Encoded Phenyl Azide Define and Modulate GFP Fluorescence.
Angew.Chem.Int.Ed.Engl., 52, 2013
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3E6N
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C125813 | | Descriptor: | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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2CMC
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | Descriptor: | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, ... | | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-04 | | Release date: | 2006-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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2CNF
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | Descriptor: | (5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-21 | | Release date: | 2006-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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3TCF
 | | Crystal structure of E. coli OppA complexed with endogenous ligands | | Descriptor: | Endogenous peptide, Periplasmic oligopeptide-binding protein | | Authors: | Klepsch, M.M, Kovermann, M, Low, C, Balbach, J, de Gier, J.W, Slotboom, D.J, Berntsson, R.P.-A. | | Deposit date: | 2011-08-09 | | Release date: | 2011-10-12 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Escherichia coli peptide binding protein OppA has a preference for positively charged peptides.
J.Mol.Biol., 414, 2011
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245D
 | | DNA-DRUG REFINEMENT: A COMPARISON OF THE PROGRAMS NUCLSQ, PROLSQ, SHELXL93 AND X-PLOR, USING THE LOW TEMPERATURE D(TGATCA)-NOGALAMYCIN STRUCTURE | | Descriptor: | DNA (5'-D(*TP*GP*AP*TP*CP*A)-3'), NOGALAMYCIN | | Authors: | Schuerman, G.S, Smith, C.K, Turkenburg, J.P, Dettmar, A.N, Van Meervelt, L, Moore, M.H. | | Deposit date: | 1996-01-12 | | Release date: | 1996-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | DNA-drug refinement: a comparison of the programs NUCLSQ, PROLSQ, SHELXL93 and X-PLOR, using the low-temperature d(TGATCA)-nogalamycin structure.
Acta Crystallogr.,Sect.D, 52, 1996
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275D
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3TCG
 | | Crystal structure of E. coli OppA complexed with the tripeptide KGE | | Descriptor: | KGE Peptide, Periplasmic oligopeptide-binding protein | | Authors: | Klepsch, M.M, Kovermann, M, Low, C, Balbach, J, de Gier, J.W, Slotboom, D.J, Berntsson, R.P.-A. | | Deposit date: | 2011-08-09 | | Release date: | 2011-10-12 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Escherichia coli peptide binding protein OppA has a preference for positively charged peptides.
J.Mol.Biol., 414, 2011
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2Y5N
 | | Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group | | Descriptor: | GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-01-15 | | Release date: | 2012-02-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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3TCE
 | | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution | | Descriptor: | 5-HYDROXYLYSINE, Dihydrodipicolinate synthase | | Authors: | Shukla, P.K, Kaushik, S, Sinha, M, Kaur, P, Tewari, R, Sharma, S, Singh, T.P. | | Deposit date: | 2011-08-09 | | Release date: | 2011-08-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution
To be Published
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1SSA
 | | A STRUCTURAL INVESTIGATION OF CATALYTICALLY MODIFIED F12OL AND F12OY SEMISYNTHETIC RIBONUCLEASES | | Descriptor: | RIBONUCLEASE A, SULFATE ION | | Authors: | deMel, V.S.J, Doscher, M.S, Glinn, M.A, Martin, P.D, Ram, M.L, Edwards, B.F.P. | | Deposit date: | 1993-08-03 | | Release date: | 1994-09-30 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural investigation of catalytically modified F120L and F120Y semisynthetic ribonucleases.
Protein Sci., 3, 1994
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2AA7
 | | Mineralocorticoid Receptor with Bound Deoxycorticosterone | | Descriptor: | DESOXYCORTICOSTERONE, GLYCEROL, Mineralocorticoid receptor, ... | | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | | Deposit date: | 2005-07-13 | | Release date: | 2005-07-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
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2XQ1
 | | Crystal structure of peroxisomal catalase from the yeast Hansenula polymorpha | | Descriptor: | PEROXISOMAL CATALASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Penya-Soler, E, Vega, M.C, Wilmanns, M, Williams, C.P. | | Deposit date: | 2010-08-31 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Features of Peroxisomal Catalase from the Yeast Hansenula Polymorpha
Acta Crystallogr.,Sect.D, 67, 2011
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1SUL
 | | Crystal Structure of the apo-YsxC | | Descriptor: | GTP-binding protein YsxC | | Authors: | Ruzheinikov, S.N, Das, K.S, Sedelnikova, S.E, Baker, P.J, Artymiuk, P.J, Garcia-Lara, J, Foster, S.J, Rice, D.W. | | Deposit date: | 2004-03-26 | | Release date: | 2004-05-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Analysis of the Open and Closed Conformations of the GTP-binding Protein YsxC from Bacillus subtilis.
J.Mol.Biol., 339, 2004
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