3ZNB
 
 | | METALLO-BETA-LACTAMASE (ZN, HG-BOUND FORM) | | 分子名称: | MERCURY (II) ION, METALLO-BETA-LACTAMASE, SODIUM ION, ... | | 著者 | Concha, N.O, Herzberg, O. | | 登録日 | 1997-10-15 | | 公開日 | 1998-01-28 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structures of the cadmium- and mercury-substituted metallo-beta-lactamase from Bacteroides fragilis.
Protein Sci., 6, 1997
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2ZNB
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2FVC
 | | Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone | | 分子名称: | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one, polyprotein | | 著者 | Concha, N.O, Wonacott, A, Singh, O. | | 登録日 | 2006-01-30 | | 公開日 | 2007-01-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase.
J.Med.Chem., 49, 2006
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5DE1
 | | Crystal structure of human IDH1 in complex with GSK321A | | 分子名称: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Concha, N.O, Smallwood, A, Qi, H. | | 登録日 | 2015-08-25 | | 公開日 | 2015-10-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
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2RAN
 | | RAT ANNEXIN V CRYSTAL STRUCTURE: CA2+-INDUCED CONFORMATIONAL CHANGES | | 分子名称: | ANNEXIN V, CALCIUM ION, SULFATE ION | | 著者 | Concha, N.O, Head, J.F, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | | 登録日 | 1994-09-01 | | 公開日 | 1994-11-30 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Rat annexin V crystal structure: Ca(2+)-induced conformational changes.
Science, 261, 1993
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8UHO
 | | Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A | | 分子名称: | 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide | | 著者 | Concha, N.O, Williams, S.P. | | 登録日 | 2023-10-09 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
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8UIF
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8UIA
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8SYC
 | | Crystal structure of PDE3B in complex with GSK4394835A | | 分子名称: | MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | | 著者 | Concha, N.O, Nolte, R. | | 登録日 | 2023-05-25 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library.
J.Med.Chem., 67, 2024
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1GFW
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1DDK
 | | CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA | | 分子名称: | ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION | | 著者 | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | | 登録日 | 1999-11-10 | | 公開日 | 2000-11-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
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1DD6
 | | IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR | | 分子名称: | (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ... | | 著者 | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | | 登録日 | 1999-11-08 | | 公開日 | 2000-11-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
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3E8C
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-11-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8D
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-10-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8E
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-11-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E88
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | 分子名称: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-10-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E87
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | 分子名称: | Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | 登録日 | 2008-08-19 | | 公開日 | 2008-10-14 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3HHK
 | | HCV NS5b polymerase complex with a substituted benzothiadizine | | 分子名称: | 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide, HCV NS5 polymerase | | 著者 | Concha, N.O, Singh, O. | | 登録日 | 2009-05-15 | | 公開日 | 2009-09-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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6NT2
 | | type 1 PRMT in complex with the inhibitor GSK3368715 | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ... | | 著者 | Concha, N.O. | | 登録日 | 2019-01-28 | | 公開日 | 2019-07-10 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss.
Cancer Cell, 36, 2019
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4YZC
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4YZ9
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4YZD
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1ZNB
 | | METALLO-BETA-LACTAMASE | | 分子名称: | METALLO-BETA-LACTAMASE, SODIUM ION, ZINC ION | | 著者 | Concha, N.O, Herzberg, O. | | 登録日 | 1996-06-06 | | 公開日 | 1997-01-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of the wide-spectrum binuclear zinc beta-lactamase from Bacteroides fragilis.
Structure, 4, 1996
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7T0O
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3D0E
 | | Crystal structure of human Akt2 in complex with GSK690693 | | 分子名称: | 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol, RAC-beta serine/threonine-protein kinase | | 著者 | Concha, N.O, Smallwood, A. | | 登録日 | 2008-05-01 | | 公開日 | 2008-10-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
J.Med.Chem., 51, 2008
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