8DYE
 
 | | Crystal structure of human SDHA-SDHAF4 assembly intermediate | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | 登録日 | 2022-08-04 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
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1QF0
 | | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-PHE-TYR. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | | 分子名称: | (2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | | 登録日 | 1999-04-06 | | 公開日 | 1999-12-29 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases.
Biochemistry, 38, 1999
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1NEK
 | | Complex II (Succinate Dehydrogenase) From E. Coli with ubiquinone bound | | 分子名称: | CALCIUM ION, CARDIOLIPIN, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Yankovskaya, V, Horsefield, R, Tornroth, S, Luna-Chavez, C, Miyoshi, H, Leger, C, Byrne, B, Cecchini, G, Iwata, S. | | 登録日 | 2002-12-11 | | 公開日 | 2003-02-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Architecture of succinate dehydrogenase and
reactive oxygen species generation.
Science, 299, 2003
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1NEN
 | | Complex II (Succinate Dehydrogenase) From E. Coli with Dinitrophenol-17 inhibitor co-crystallized at the ubiquinone binding site | | 分子名称: | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL, CALCIUM ION, CARDIOLIPIN, ... | | 著者 | Yankovskaya, V, Horsefield, R, Tornroth, S, Luna-Chavez, C, Miyoshi, H, Leger, C, Byrne, B, Cecchini, G, Iwata, S. | | 登録日 | 2002-12-11 | | 公開日 | 2003-02-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Architecture of succinate dehydrogenase and
reactive oxygen species generation
Science, 299, 2003
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1QF1
 | | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYLHEPTANOYL)-PHE-ALA. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, PROTEIN (THERMOLYSIN), ... | | 著者 | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | | 登録日 | 1999-04-06 | | 公開日 | 1999-12-29 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases.
Biochemistry, 38, 1999
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1QF2
 | | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-GLY-(5-PHENYLPROLINE). PARAMETERS FOR ZN-MONODENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, PROTEIN (THERMOLYSIN), ... | | 著者 | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | | 登録日 | 1999-04-06 | | 公開日 | 1999-12-29 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases.
Biochemistry, 38, 1999
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3R8I
 | | Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86) | | 分子名称: | 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Loiodice, F, Laghezza, A, Fracchiolla, G, Lavecchia, A, Novellino, E, Crestani, M. | | 登録日 | 2011-03-24 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis, characterization and biological evaluation of ureidofibrate-like derivatives endowed with peroxisome proliferator-activated receptor activity.
J.Med.Chem., 55, 2012
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4N9O
 | | Probing the N-terminal beta-sheet conversion in the crystal structure of the human prion protein bound to a Nanobody | | 分子名称: | Major prion protein, Nanobody Nb484 | | 著者 | Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J. | | 登録日 | 2013-10-21 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody.
J.Am.Chem.Soc., 136, 2014
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4D0W
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-04-30 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4D1S
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-05-05 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4D0X
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-04-30 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4NVQ
 | | Human G9a in Complex with Inhibitor A-366 | | 分子名称: | 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Sweis, R.F, Pliushchev, M, Brown, P.J, Guo, J, Li, F, Maag, D, Petros, A.M, Soni, N.B, Tse, C, Vedadi, M, Michaelides, M.R, Chiang, G.G, Pappano, W.N. | | 登録日 | 2013-12-05 | | 公開日 | 2014-01-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery and development of potent and selective inhibitors of histone methyltransferase g9a.
ACS Med Chem Lett, 5, 2014
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4KML
 | | Probing the N-terminal beta-sheet conversion in the crystal structure of the full-length human prion protein bound to a Nanobody | | 分子名称: | Major prion protein, Nanobody | | 著者 | Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J. | | 登録日 | 2013-05-08 | | 公開日 | 2014-02-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody.
J.Am.Chem.Soc., 136, 2014
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2QM1
 | | Crystal structure of glucokinase from Enterococcus faecalis | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glucokinase, ... | | 著者 | Kim, Y, Joachimiak, G, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2007-07-13 | | 公開日 | 2007-07-31 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Crystal Structure of Glucokinase from Enterococcus faecalis.
To be Published
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4KX6
 | | Plasticity of the quinone-binding site of the complex II homolog quinol:fumarate reductase | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Singh, P.K, Sarwar, M, Maklashina, E, Kotlyar, V, Rajagukguk, S, Tomasiak, T.M, Cecchini, G, Iverson, T.M. | | 登録日 | 2013-05-24 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Plasticity of the Quinone-binding Site of the Complex II Homolog Quinol:Fumarate Reductase.
J.Biol.Chem., 288, 2013
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3HO0
 | | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | | 分子名称: | (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | | 登録日 | 2009-06-01 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
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3CIR
 | | E. coli Quinol fumarate reductase FrdA T234A mutation | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Tomasiak, T.M, Maklashina, E, Cecchini, G, Iverson, T.M. | | 登録日 | 2008-03-11 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | | 主引用文献 | A threonine on the active site loop controls transition state formation in Escherichia coli respiratory complex II.
J.Biol.Chem., 283, 2008
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3HOD
 | | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | | 分子名称: | (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | | 登録日 | 2009-06-02 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
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2QQZ
 | | Crystal structure of putative glyoxalase family protein from Bacillus anthracis | | 分子名称: | GLYCEROL, Glyoxalase family protein, putative, ... | | 著者 | Kim, Y, Joachimiak, G, Wu, R, Patterson, S, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2007-07-27 | | 公開日 | 2007-08-14 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Crystal Structure of Putative Glyoxalase Family Protein from Bacillus anthracis.
To be Published
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1Q4X
 | | Crystal Structure of Human Thyroid Hormone Receptor beta LBD in complex with specific agonist GC-24 | | 分子名称: | Thyroid hormone receptor beta-1, [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID | | 著者 | Borngraeber, S, Budny, M.J, Chiellini, G, Cunha-Lima, S.T, Togashi, M, Webb, P, Baxter, J.D, Scanlan, T.S, Fletterick, R.J. | | 登録日 | 2003-08-04 | | 公開日 | 2004-02-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Ligand selectivity by seeking hydrophobicity in thyroid hormone receptor.
Proc.Natl.Acad.Sci.USA, 100, 2003
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1UYW
 | | Crystal Structure of the antiflavivirus Fab4g2 | | 分子名称: | FAB ANTIBODY HEAVY CHAIN, FAB ANTIBODY LIGHT CHAIN | | 著者 | Martinez-Fleites, C, Ortiz-Lombardia, M, Taylor, E.J, Gil-Valdes, J, Chinea, G, Davies, G. | | 登録日 | 2004-03-03 | | 公開日 | 2005-03-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of the Antiflavivirus Fab4G2
To be Published
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1LWR
 | | Solution structure of the NCAM fibronectin type III module 2 | | 分子名称: | Neural Cell Adhesion Molecule 1, 140 kDa isoform | | 著者 | Kiselyov, V.V, Skladchikova, G, Hinsby, A.M, Jensen, P.H, Kulahin, N, Pedersen, N, Tsetlin, V, Poulsen, F.M, Berezin, V, Bock, E. | | 登録日 | 2002-06-03 | | 公開日 | 2003-06-03 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for a direct interaction between FGFR1 and NCAM and evidence for a regulatory role of ATP
Structure, 11, 2003
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4PTC
 | | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | | 分子名称: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | 登録日 | 2014-03-10 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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5A25
 | | Rational engineering of a mesophilic carbonic anhydrase to an extreme halotolerant biocatalyst | | 分子名称: | CARBONIC ANHYDRASE 2, GLYCEROL, SODIUM ION, ... | | 著者 | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | | 登録日 | 2015-05-12 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
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4E4K
 | | Crystal Structure of PPARgamma with the ligand JO21 | | 分子名称: | (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E. | | 登録日 | 2012-03-13 | | 公開日 | 2013-01-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
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