3HB6
 
 | | Inactive mutant H54F of Proteus mirabilis catalase | | Descriptor: | Catalase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Andeoletti, P, Jouve, H.M, Gouet, P. | | Deposit date: | 2009-05-04 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Verdoheme formation in Proteus mirabilis catalase.
Biochim.Biophys.Acta, 1790, 2009
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2A8T
 | | 2.1 Angstrom Crystal Structure of the Complex Between the Nuclear U8 snoRNA Decapping Nudix Hydrolase X29, Manganese and m7G-PPP-A | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE, MANGANESE (II) ION, ... | | Authors: | Scarsdale, J.N, Peculis, B.A, Wright, H.T. | | Deposit date: | 2005-07-08 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of U8 snoRNA decapping nudix hydrolase, X29, and its metal and cap complexes
Structure, 14, 2006
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2RJI
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8G8F
 | | Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | | Authors: | O'Neill, A.G, Kollman, J.M. | | Deposit date: | 2023-02-17 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
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5UJ5
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2K0B
 | | NMR structure of the UBA domain of p62 (SQSTM1) | | Descriptor: | Sequestosome-1 | | Authors: | Long, J.E, Ciani, B, Gallagher, T.R.A, Cavey, J.R, Sheppard, P.W, Layfield, R, Searle, M.S. | | Deposit date: | 2008-01-31 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Conformation and dynamics of the three-helix bundle UBA domain of p62 from experiment and simulation.
Proteins, 71, 2007
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226D
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3D7P
 | | Crystal structure of human Transthyretin (TTR) at pH 4.0 | | Descriptor: | Transthyretin | | Authors: | Palaninathan, S.K, Mohamedmohaideen, N.N, Snee, W.C, Kelly, J.W, Sacchettini, J.C. | | Deposit date: | 2008-05-21 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
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3D80
 | | Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex wtih the Potent and Selective Inhibitor 2,4-Diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine | | Descriptor: | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol, Dihydrofolate reductase, GLYCEROL, ... | | Authors: | Cody, V. | | Deposit date: | 2008-05-22 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
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1URB
 | | ALKALINE PHOSPHATASE (N51MG) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Tibbitts, T.T, Murphy, J.E, Kantrowitz, E.R. | | Deposit date: | 1996-02-03 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Kinetic and structural consequences of replacing the aspartate bridge by asparagine in the catalytic metal triad of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 257, 1996
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2PI2
 | | Full-length Replication protein A subunits RPA14 and RPA32 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit | | Authors: | Deng, X, Borgstahl, G.E. | | Deposit date: | 2007-04-12 | | Release date: | 2007-10-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Full-length Human RPA14/32 Complex Gives Insights into the Mechanism of DNA Binding and Complex Formation.
J.Mol.Biol., 374, 2007
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6ZQP
 | | Structure of the Pmt2-MIR domain with bound ligands | | Descriptor: | GLYCEROL, PMT2 isoform 1, SULFATE ION, ... | | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | | Deposit date: | 2020-07-10 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Functional implications of MIR domains in protein O -mannosylation.
Elife, 9, 2020
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2JY8
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2BED
 | | Structure of FPT bound to inhibitor SCH207736 | | Descriptor: | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE, FARNESYL DIPHOSPHATE, Protein farnesyltransferase beta subunit, ... | | Authors: | Strickland, C. | | Deposit date: | 2005-10-24 | | Release date: | 2006-08-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Enhanced FTase activity achieved via piperazine interaction with catalytic zinc.
Bioorg.Med.Chem.Lett., 16, 2006
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5V3C
 | | Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ... | | Authors: | Hassaan, E, Heine, A, Klebe, G. | | Deposit date: | 2017-03-07 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.419 Å) | | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
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5IPZ
 | | Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide | | Descriptor: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide, Carbonic anhydrase 4, ZINC ION | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2016-03-10 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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1W2S
 | | Solution structure of CR2 SCR 1-2 in its complex with C3d by X-ray scattering | | Descriptor: | COMPLEMENT C3 PRECURSOR, COMPLEMENT RECEPTOR TYPE 2 PRECURSOR, | | Authors: | Gilbert, H.E, Hannan, J.P, Holers, V.M, Perkins, S.J. | | Deposit date: | 2004-07-08 | | Release date: | 2005-09-29 | | Last modified: | 2024-05-08 | | Method: | SOLUTION SCATTERING | | Cite: | Solution Structure of the Complex between Cr2 Scr 1-2 and C3D of Human Complement: An X-Ray Scattering and Sedimentation Modelling Study.
J.Mol.Biol., 346, 2005
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3D8Y
 | | RNase A- 5'-Deoxy-5'-N-piperidinothymidine complex | | Descriptor: | 5'-deoxy-5'-piperidin-1-ylthymidine, CITRATE ANION, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-26 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation
J.Med.Chem., 52, 2009
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1ZRB
 | | Thrombin in complex with an azafluorenyl inhibitor 23b | | Descriptor: | 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ... | | Authors: | Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y. | | Deposit date: | 2005-05-19 | | Release date: | 2005-06-07 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 9-hydroxyazafluorenes and their use in thrombin inhibitors
J.Med.Chem., 48, 2005
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1KYX
 | | Lumazine Synthase from S.pombe bound to carboxyethyllumazine | | Descriptor: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
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1KZ4
 | | Mutant enzyme W63Y Lumazine Synthase from S.pombe | | Descriptor: | 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
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1VJC
 | | Structure of pig muscle PGK complexed with MgATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, phosphoglycerate kinase | | Authors: | Flachner, B, Kovari, Z, Varga, A, Gugolya, Z, Vonderviszt, F, Naray-Szabo, G, Vas, M. | | Deposit date: | 2004-02-03 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Role of phosphate chain mobility of MgATP in completing the 3-phosphoglycerate kinase catalytic site: binding, kinetic, and crystallographic studies with ATP and MgATP.
Biochemistry, 43, 2004
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3FV4
 | | Thermolysin inhibition | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Englert, L, Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2009-01-15 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800, 2010
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223D
 | | DIRECT OBSERVATION OF TWO BASE-PAIRING MODES OF A CYTOSINE-THYMINE ANALOGUE WITH GUANINE IN A DNA Z-FORM DUPLEX: SIGNIFICANCE FOR BASE ANALOGUE MUTAGENESIS | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(C46)P*G)-3') | | Authors: | Moore, M.H, Van Meervelt, L, Salisbury, S.A, Kong Thoo Lin, P, Brown, D.M. | | Deposit date: | 1995-08-01 | | Release date: | 1995-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of two base-pairing modes of a cytosine-thymine analogue with guanine in a DNA Z-form duplex: significance for base analogue mutagenesis.
J.Mol.Biol., 251, 1995
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3DD8
 | | Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | | Descriptor: | 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate, Carbonic anhydrase 2, MERCURY (II) ION, ... | | Authors: | Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T. | | Deposit date: | 2008-06-05 | | Release date: | 2008-08-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies
Bioorg.Med.Chem.Lett., 18, 2008
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