3ZVG
| 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98 | Descriptor: | 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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1N4F
| Para-Arsanilate Derivative of Hen Egg-White Lysozyme | Descriptor: | 1,2-ETHANEDIOL, 4-AMINOPHENYLARSONIC ACID, Lysozyme C, ... | Authors: | Retailleau, P, Prange, T. | Deposit date: | 2002-10-31 | Release date: | 2003-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Phasing power at the K absorption edge of organic arsenic. Acta Crystallogr.,Sect.D, 59, 2003
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2GA8
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1R0R
| 1.1 Angstrom Resolution Structure of the Complex Between the Protein Inhibitor, OMTKY3, and the Serine Protease, Subtilisin Carlsberg | Descriptor: | CALCIUM ION, Ovomucoid, subtilisin carlsberg | Authors: | Horn, J.R, Ramaswamy, S, Murphy, K.P. | Deposit date: | 2003-09-22 | Release date: | 2003-11-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure and energetics of protein-protein interactions: the role of conformational heterogeneity in OMTKY3 binding to serine proteases J.Mol.Biol., 331, 2003
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3WXB
| Crystal structure of NADPH bound carbonyl reductase from chicken fatty liver | Descriptor: | 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein | Authors: | Yoneda, K, Sakuraba, H, Fukuda, Y, Sone, T, Araki, T, Ohshima, T. | Deposit date: | 2014-07-29 | Release date: | 2015-07-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A novel NAD(P)H-dependent carbonyl reductase specifically expressed in the thyroidectomized chicken fatty liver: catalytic properties and crystal structure. Febs J., 282, 2015
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1N0J
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3WOC
| Crystal structure of a prostate-specific WGA16 glycoprotein lectin, form II | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, SULFATE ION, ... | Authors: | Garenaux, E, Kanagawa, M, Tsuchiyama, T, Hori, K, Kanazawa, T, Goshima, A, Chiba, M, Yasue, H, Ikeda, A, Yamaguchi, Y, Sato, C, Kitajima, K. | Deposit date: | 2013-12-26 | Release date: | 2014-12-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery, Primary, and Crystal Structures and Capacitation-related Properties of a Prostate-derived Heparin-binding Protein WGA16 from Boar Sperm J.Biol.Chem., 290, 2015
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1MIT
| RECOMBINANT CUCURBITA MAXIMA TRYPSIN INHIBITOR V (RCMTI-V) (NMR, MINIMIZED AVERAGE STRUCTURE) | Descriptor: | TRYPSIN INHIBITOR V | Authors: | Cai, M, Gong, Y, Huang, Y, Liu, J, Prakash, O, Wen, L, Wen, J.J, Huang, J.-K, Krishnamoorthi, R. | Deposit date: | 1995-10-26 | Release date: | 1996-04-03 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of recombinant Cucurbita maxima trypsin inhibitor-V determined by NMR spectroscopy. Biochemistry, 35, 1996
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2ETZ
| The NMR minimized average structure of the Itk SH2 domain bound to a phosphopeptide | Descriptor: | Lymphocyte cytosolic protein 2 phosphopeptide fragment, Tyrosine-protein kinase ITK/TSK | Authors: | Sundd, M, Pletneva, E.V, Fulton, D.B, Andreotti, A.H. | Deposit date: | 2005-10-27 | Release date: | 2006-02-07 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Molecular Details of Itk Activation by Prolyl Isomerization and Phospholigand Binding: The NMR Structure of the Itk SH2 Domain Bound to a Phosphopeptide. J.Mol.Biol., 357, 2006
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1M8A
| Human MIP-3alpha/CCL20 | Descriptor: | ISOPROPYL ALCOHOL, Small inducible cytokine A20 | Authors: | Hoover, D.M, Boulegue, C, Yang, D, Oppenheim, J.J, Tucker, K, Lu, W, Lubkowski, J. | Deposit date: | 2002-07-24 | Release date: | 2002-07-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of human macrophage inflammatory protein-3alpha /CCL20. Linking antimicrobial and CC chemokine receptor-6-binding activities with human beta-defensins J.Biol.Chem., 277, 2002
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2GAA
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1PYY
| Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ... | Authors: | Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A. | Deposit date: | 2003-07-09 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains J.Biol.Chem., 278, 2003
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1Q0P
| A domain of Factor B | Descriptor: | Complement factor B, MANGANESE (II) ION | Authors: | Bhattacharya, A.A, Liddington, R.C. | Deposit date: | 2003-07-17 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the A Domain from Complement Factor B Reveals an Integrin-like Open Conformation. STRUCTURE, 12, 2004
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1S3V
| Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1MPP
| X-RAY ANALYSES OF ASPARTIC PROTEINASES. V. STRUCTURE AND REFINEMENT AT 2.0 ANGSTROMS RESOLUTION OF THE ASPARTIC PROTEINASE FROM MUCOR PUSILLUS | Descriptor: | PEPSIN, SULFATE ION | Authors: | Newman, M, Watson, F, Roychowdhury, P, Jones, H, Badasso, M, Cleasby, A, Wood, S.P, Tickle, I.J, Blundell, T.L. | Deposit date: | 1992-02-19 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray analyses of aspartic proteinases. V. Structure and refinement at 2.0 A resolution of the aspartic proteinase from Mucor pusillus. J.Mol.Biol., 230, 1993
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1M72
| Crystal Structure of Caspase-1 from Spodoptera frugiperda | Descriptor: | 1,2-ETHANEDIOL, Ace-Asp-Glu-Val-Asp-chloromethylketone, Caspase-1 | Authors: | Forsyth, C.M, Lemongello, D, Friesen, P.D, Fisher, A.J. | Deposit date: | 2002-07-18 | Release date: | 2004-01-20 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an invertebrate caspase. J.Biol.Chem., 279, 2004
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1S3W
| Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1MVZ
| NMR solution structure of a Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata) | Descriptor: | Bowman-Birk type protease inhibitor, (MSTI) | Authors: | Catalano, M, Ragona, L, Molinari, H, Tava, A, Zetta, L. | Deposit date: | 2002-09-27 | Release date: | 2003-04-22 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Anticarcinogenic Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata): solution structure and analysis of self-association behaviour Biochemistry, 42, 2003
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1S3Y
| Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1N3F
| Crystal structure of I-CreI bound to a palindromic DNA sequence II (palindrome of right side of wildtype DNA target sequence) | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*GP*A)-3', 5'-D(P*GP*AP*CP*AP*GP*TP*TP*TP*CP*G-3'), CALCIUM ION, ... | Authors: | Chevalier, B, Turmel, M, Lemieux, C, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2002-10-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flexible DNA Target Site Recognition by Divergent Homing Endonuclease Isoschizomers I-CreI and I-MsoI J.Mol.Biol., 329, 2003
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1N3E
| Crystal structure of I-CreI bound to a palindromic DNA sequence I (palindrome of left side of wildtype DNA target sequence) | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*C)-3', 5'-D(P*GP*AP*CP*GP*TP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | Authors: | Chevalier, B, Turmel, M, Lemieux, C, Monnat, R.J, Stoddard, B.L. | Deposit date: | 2002-10-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flexible DNA Target Site Recognition by Divergent Homing Endonuclease Isoschizomers I-CreI and I-MsoI J.Mol.Biol., 329, 2003
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1RJZ
| Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and Herpies Simplex Virus Mutant Glycoprotein B Peptide | Descriptor: | Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ... | Authors: | Miley, M.J, Messaoudi, I, Nikolich-Zugich, J, Fremont, D.H. | Deposit date: | 2003-11-20 | Release date: | 2004-12-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution J.Exp.Med., 200, 2004
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4BFP
| Crystal structure of human tankyrase 2 in complex with WIKI4 | Descriptor: | 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione, SULFATE ION, TANKYRASE-2, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-03-21 | Release date: | 2013-06-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis and Selectivity of Tankyrase Inhibition by a Wnt Signaling Inhibitor Wiki4 Plos One, 8, 2013
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1RQL
| Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
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1RJY
| Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and Herpes Simplex Virus Glycoprotein B Peptide | Descriptor: | Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ... | Authors: | Miley, M.J, Messaoudi, I, Nikolich-Zugich, J, Fremont, D.H. | Deposit date: | 2003-11-20 | Release date: | 2004-12-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution J.Exp.Med., 200, 2004
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