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2BTZ
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crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
分子名称: PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
著者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.
登録日2005-06-08
公開日2006-02-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
2BU7
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crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
分子名称: N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
著者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.
登録日2005-06-08
公開日2006-02-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
2BU8
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crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
分子名称: ADENOSINE-5'-DIPHOSPHATE, DICHLORO-ACETIC ACID, MAGNESIUM ION, ...
著者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.
登録日2005-06-08
公開日2006-02-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
2BU2
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crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
分子名称: 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者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.
登録日2005-06-08
公開日2006-02-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
2BU5
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crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
分子名称: 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
著者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.
登録日2005-06-08
公開日2006-02-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
2WEO
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Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-04-01
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEJ
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Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEH
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Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2YIX
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Triazolopyridine Inhibitors of p38
分子名称: 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
著者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.
登録日2011-05-17
公開日2011-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
2YIS
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triazolopyridine inhibitors of p38 kinase.
分子名称: 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
著者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.
登録日2011-05-16
公開日2011-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
1LMW
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BU of 1lmw by Molmil
LMW U-PA Structure complexed with EGRCMK (GLU-GLY-ARG Chloromethyl Ketone)
分子名称: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Spraggon, G.S, Phillips, C, Nowak, U.K, Ponting, C.P, Saunders, D, Dobson, C.M, Stuart, D.I, Jones, E.Y.
登録日1995-07-26
公開日1996-01-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the catalytic domain of human urokinase-type plasminogen activator.
Structure, 3, 1995
3T7L
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BU of 3t7l by Molmil
Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution
分子名称: 1,2-ETHANEDIOL, ZINC ION, Zinc finger FYVE domain-containing protein 16
著者Chaikuad, A, Williams, E, Guo, K, Sanvitale, C, Berridge, G, Krojer, T, Muniz, J.R.C, Canning, P, Phillips, C, Shrestha, A, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2011-07-30
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution
To be Published
2VNT
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BU of 2vnt by Molmil
UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE
分子名称: 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者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.
登録日2008-02-07
公開日2008-02-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selective Urokinase-Type Plasminogen Activator (Upa) Inhibitors 4. 1-(7-Sulphonamidoisoquinolinyl) Guanidines
J.Med.Chem., 50, 2007
2WEG
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BU of 2weg by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
3TUD
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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
分子名称: 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
著者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.
登録日2011-09-16
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
3TUC
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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
分子名称: 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK
著者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.
登録日2011-09-16
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
6FWX
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BU of 6fwx by Molmil
Chimeric titin Z1Z2-Z1Z2 tandem (Z1212) functionalized with a GRGDS exogenous peptide from fibronectin
分子名称: 1,2-ETHANEDIOL, Titin,Titin,Titin
著者Mayans, O, Fleming, J, Hill, C.
登録日2018-03-07
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Self-Assembling Proteins as High-Performance Substrates for Embryonic Stem Cell Self-Renewal.
Adv. Mater. Weinheim, 31, 2019
6SDB
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BU of 6sdb by Molmil
Chimeric titin Z1Z2 functionalized with a KLER exogenous peptide from decorin
分子名称: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ...
著者Fleming, J.R, Hill, C, Mayans, O.M.
登録日2019-07-26
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The ZT Biopolymer: A Self-Assembling Protein Scaffold for Stem Cell Applications.
Int J Mol Sci, 20, 2019
1GMP
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BU of 1gmp by Molmil
COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION
分子名称: GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE SA, SULFATE ION
著者Sevcik, J, Hill, C, Dauter, Z, Wilson, K.
登録日1992-10-01
公開日1993-10-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
1GMR
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COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION
分子名称: GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE SA, SULFATE ION
著者Sevcik, J, Hill, C, Dauter, Z, Wilson, K.
登録日1992-10-01
公開日1993-10-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
1GMQ
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COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION
分子名称: RIBONUCLEASE SA, SULFATE ION
著者Sevcik, J, Hill, C, Dauter, Z, Wilson, K.
登録日1992-10-01
公開日1993-10-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
3RNT
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BU of 3rnt by Molmil
CRYSTAL STRUCTURE OF GUANOSINE-FREE RIBONUCLEASE T1, COMPLEXED WITH VANADATE(V), SUGGESTS CONFORMATIONAL CHANGE UPON SUBSTRATE BINDING
分子名称: CALCIUM ION, RIBONUCLEASE T1, VANADATE ION
著者Kostrewa, D, Choe, H.-W, Heinemann, U, Saenger, W.
登録日1989-05-31
公開日1989-10-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of guanosine-free ribonuclease T1, complexed with vanadate (V), suggests conformational change upon substrate binding.
Biochemistry, 28, 1989
1GOV
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RIBONUCLEASE BI(G SPECIFIC ENDONUCLEASE) COMPLEXED WITH SULFATE IONS
分子名称: RIBONUCLEASE, SULFATE ION
著者Polyakov, K.M, Lebedev, A.A, Pavlovsky, A.G, Sanishvili, R.G, Dodson, G.G.
登録日2001-10-26
公開日2001-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of Substrate-Free Microbial Ribonuclease Binase and of its Complexes with 3'Gmp and Sulfate Ions
Acta Crystallogr.,Sect.D, 58, 2002
1GOY
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HYDROLASE(ENDORIBONUCLEASE)RIBONUCLEASE BI(G SPECIFIC ENDONUCLEASE) (E.C.3.1.27.-) COMPLEXED WITH GUANOSINE-3'-PHOSPHATE (3'-GMP)
分子名称: GUANOSINE-3'-MONOPHOSPHATE, RIBONUCLEASE, SULFATE ION
著者Polyakov, K.M, Lebedev, A.A, Pavlovsky, A.G, Sanishvili, R.G, Dodson, G.G.
登録日2001-10-26
公開日2001-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of Substrate-Free Microbial Ribonuclease Binase and of its Complexes with 3'Gmp and Sulfate Ions
Acta Crystallogr.,Sect.D, 58, 2002
1RNT
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RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION
分子名称: GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME
著者Saenger, W, Arni, R, Heinemann, U, Tokuoka, R.
登録日1987-07-10
公開日1987-10-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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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