2BU7
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![BU of 2bu7 by Molmil](/molmil-images/mine/2bu7) | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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2BTZ
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![BU of 2btz by Molmil](/molmil-images/mine/2btz) | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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2BU5
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![BU of 2bu5 by Molmil](/molmil-images/mine/2bu5) | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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2WEH
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![BU of 2weh by Molmil](/molmil-images/mine/2weh) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEJ
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![BU of 2wej by Molmil](/molmil-images/mine/2wej) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEG
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![BU of 2weg by Molmil](/molmil-images/mine/2weg) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEO
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![BU of 2weo by Molmil](/molmil-images/mine/2weo) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-04-01 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2YB9
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![BU of 2yb9 by Molmil](/molmil-images/mine/2yb9) | Crystal Structure of Human Neutral Endopeptidase complexed with a heteroarylalanine diacid. | Descriptor: | HETEROARYLALANINE 5-PHENYL OXAZOLE, NEPRILYSIN, ZINC ION | Authors: | Glossop, M.S, Bazin, R.J, Dack, K.N, Done, S, Fox, D.N.A, MacDonald, G.A, Mills, M, Owen, D.R, Phillips, C, Reeves, K.A, Ringer, T.J, Strang, R.S, Watson, C.A.L. | Deposit date: | 2011-03-02 | Release date: | 2011-05-25 | Last modified: | 2011-11-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and Evaluation of Heteroarylalanine Diacids as Potent and Selective Neutral Endopeptidase Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2YIW
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![BU of 2yiw by Molmil](/molmil-images/mine/2yiw) | triazolopyridine inhibitors of p38 kinase | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefamiak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2VNT
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![BU of 2vnt by Molmil](/molmil-images/mine/2vnt) | UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE | Descriptor: | 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Fish, P.V, Barber, C.G, Brown, D.G, Butt, R, Henry, B.T, Horne, V, Huggins, J.P, Mccleverty, D, Phillips, C, Webster, R, Dickinson, R.P, Collis, M.G, King, E, O'Gara, M, Mcintosh, F. | Deposit date: | 2008-02-07 | Release date: | 2008-02-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective Urokinase-Type Plasminogen Activator (Upa) Inhibitors 4. 1-(7-Sulphonamidoisoquinolinyl) Guanidines J.Med.Chem., 50, 2007
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2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2YIS
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![BU of 2yis by Molmil](/molmil-images/mine/2yis) | triazolopyridine inhibitors of p38 kinase. | Descriptor: | 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. | Deposit date: | 2011-05-16 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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3TUC
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![BU of 3tuc by Molmil](/molmil-images/mine/3tuc) | Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide | Descriptor: | 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK | Authors: | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | Deposit date: | 2011-09-16 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Type-II Inhibitors Using Kinase Structures. Chem.Biol.Drug Des., 80, 2012
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3TUD
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![BU of 3tud by Molmil](/molmil-images/mine/3tud) | Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide | Descriptor: | N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide, Tyrosine-protein kinase SYK | Authors: | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | Deposit date: | 2011-09-16 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Identification of Type-II Inhibitors Using Kinase Structures. Chem.Biol.Drug Des., 80, 2012
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4D0F
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![BU of 4d0f by Molmil](/molmil-images/mine/4d0f) | Human Notch1 EGF domains 11-13 mutant T466A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | Authors: | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | Deposit date: | 2014-04-25 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands. Proc.Natl.Acad.Sci.USA, 111, 2014
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4CUE
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![BU of 4cue by Molmil](/molmil-images/mine/4cue) | Human Notch1 EGF domains 11-13 mutant T466V | Descriptor: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | Authors: | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | Deposit date: | 2014-03-18 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands. Proc.Natl.Acad.Sci.USA, 111, 2014
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6FWX
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![BU of 6fwx by Molmil](/molmil-images/mine/6fwx) | Chimeric titin Z1Z2-Z1Z2 tandem (Z1212) functionalized with a GRGDS exogenous peptide from fibronectin | Descriptor: | 1,2-ETHANEDIOL, Titin,Titin,Titin | Authors: | Mayans, O, Fleming, J, Hill, C. | Deposit date: | 2018-03-07 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Self-Assembling Proteins as High-Performance Substrates for Embryonic Stem Cell Self-Renewal. Adv. Mater. Weinheim, 31, 2019
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6SDB
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![BU of 6sdb by Molmil](/molmil-images/mine/6sdb) | Chimeric titin Z1Z2 functionalized with a KLER exogenous peptide from decorin | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ... | Authors: | Fleming, J.R, Hill, C, Mayans, O.M. | Deposit date: | 2019-07-26 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The ZT Biopolymer: A Self-Assembling Protein Scaffold for Stem Cell Applications. Int J Mol Sci, 20, 2019
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1GMP
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![BU of 1gmp by Molmil](/molmil-images/mine/1gmp) | COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE SA, SULFATE ION | Authors: | Sevcik, J, Hill, C, Dauter, Z, Wilson, K. | Deposit date: | 1992-10-01 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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1GMR
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![BU of 1gmr by Molmil](/molmil-images/mine/1gmr) | COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE SA, SULFATE ION | Authors: | Sevcik, J, Hill, C, Dauter, Z, Wilson, K. | Deposit date: | 1992-10-01 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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1GMQ
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![BU of 1gmq by Molmil](/molmil-images/mine/1gmq) | COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION | Descriptor: | RIBONUCLEASE SA, SULFATE ION | Authors: | Sevcik, J, Hill, C, Dauter, Z, Wilson, K. | Deposit date: | 1992-10-01 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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3RNT
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![BU of 3rnt by Molmil](/molmil-images/mine/3rnt) | CRYSTAL STRUCTURE OF GUANOSINE-FREE RIBONUCLEASE T1, COMPLEXED WITH VANADATE(V), SUGGESTS CONFORMATIONAL CHANGE UPON SUBSTRATE BINDING | Descriptor: | CALCIUM ION, RIBONUCLEASE T1, VANADATE ION | Authors: | Kostrewa, D, Choe, H.-W, Heinemann, U, Saenger, W. | Deposit date: | 1989-05-31 | Release date: | 1989-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of guanosine-free ribonuclease T1, complexed with vanadate (V), suggests conformational change upon substrate binding. Biochemistry, 28, 1989
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1GOY
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![BU of 1goy by Molmil](/molmil-images/mine/1goy) | HYDROLASE(ENDORIBONUCLEASE)RIBONUCLEASE BI(G SPECIFIC ENDONUCLEASE) (E.C.3.1.27.-) COMPLEXED WITH GUANOSINE-3'-PHOSPHATE (3'-GMP) | Descriptor: | GUANOSINE-3'-MONOPHOSPHATE, RIBONUCLEASE, SULFATE ION | Authors: | Polyakov, K.M, Lebedev, A.A, Pavlovsky, A.G, Sanishvili, R.G, Dodson, G.G. | Deposit date: | 2001-10-26 | Release date: | 2001-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of Substrate-Free Microbial Ribonuclease Binase and of its Complexes with 3'Gmp and Sulfate Ions Acta Crystallogr.,Sect.D, 58, 2002
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1GOV
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![BU of 1gov by Molmil](/molmil-images/mine/1gov) | RIBONUCLEASE BI(G SPECIFIC ENDONUCLEASE) COMPLEXED WITH SULFATE IONS | Descriptor: | RIBONUCLEASE, SULFATE ION | Authors: | Polyakov, K.M, Lebedev, A.A, Pavlovsky, A.G, Sanishvili, R.G, Dodson, G.G. | Deposit date: | 2001-10-26 | Release date: | 2001-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of Substrate-Free Microbial Ribonuclease Binase and of its Complexes with 3'Gmp and Sulfate Ions Acta Crystallogr.,Sect.D, 58, 2002
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1RNT
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![BU of 1rnt by Molmil](/molmil-images/mine/1rnt) | RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME | Authors: | Saenger, W, Arni, R, Heinemann, U, Tokuoka, R. | Deposit date: | 1987-07-10 | Release date: | 1987-10-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Restrained Least-Squares Refinement of the Crystal Structure of the Ribonuclease T1(Asterisk)2(Prime)-Guanylic Acid Complex at 1.9 Angstroms Resolution Acta Crystallogr.,Sect.B, 43, 1987
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