3GS4
 
 | | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15) | | 分子名称: | 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | | 著者 | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | | 登録日 | 2009-03-26 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
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3GO0
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3GS7
 | | Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13) | | 分子名称: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin | | 著者 | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | | 登録日 | 2009-03-26 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
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3GLE
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3GN1
 | | Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116) | | 分子名称: | 1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Tulloch, L.B, Brenk, R, Hunter, W.N. | | 登録日 | 2009-03-16 | | 公開日 | 2009-12-29 | | 最終更新日 | 2011-09-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
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3H6C
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3H76
 | | Crystal structure of PqsD, a key enzyme in Pseudomonas aeruginosa quinolone signal biosynthesis pathway | | 分子名称: | PQS biosynthetic enzyme | | 著者 | Bera, A.K, Atanasova, V, Parsons, J.F. | | 登録日 | 2009-04-24 | | 公開日 | 2009-09-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of PqsD, a Pseudomonas quinolone signal biosynthetic enzyme, in complex with anthranilate.
Biochemistry, 48, 2009
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3HC8
 | | Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. | | 分子名称: | 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Hughes, R.O, Stallings, W.C, Cubbage, J.W, Williams, J.M. | | 登録日 | 2009-05-05 | | 公開日 | 2009-07-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.
Bioorg.Med.Chem.Lett., 19, 2009
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3HIA
 | | Crystal structure of the choline binding domain of Spr1274 in Streptococcus pneumoniae | | 分子名称: | Choline binding protein, PHOSPHOCHOLINE, SULFATE ION | | 著者 | Zhang, Z.-Y, Li, W.-Z, Jiang, Y.-L, Bao, R, Zhou, C.-Z, Chen, Y.-X. | | 登録日 | 2009-05-19 | | 公開日 | 2009-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Crystal structure of the choline binding domain of Spr1274 in Streptococcus pneumoniae
To be Published
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3HF2
 | | Crystal structure of the I401P mutant of cytochrome P450 BM3 | | 分子名称: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z. | | 登録日 | 2009-05-10 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1)
Chembiochem, 10, 2009
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3HH8
 | | Crystal Structure and metal binding properties of the lipoprotein MtsA | | 分子名称: | FE (III) ION, Metal ABC transporter substrate-binding lipoprotein | | 著者 | Baker, E.N, Baker, H.M, Sun, X, Ye, Q.-Y. | | 登録日 | 2009-05-15 | | 公開日 | 2009-06-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystal structure and metal binding properties of the lipoprotein MtsA, responsible for iron transport in Streptococcus pyogenes.
Biochemistry, 48, 2009
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4K0Y
 | | Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 分子名称: | N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | | 登録日 | 2013-04-04 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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4JZB
 | | Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)-3-PHENYLPYRIDINIUM, IPP and Ca2+ | | 分子名称: | 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | | 著者 | Aripirala, S, Amzel, L.M, Gabelli, S. | | 登録日 | 2013-04-02 | | 公開日 | 2014-02-12 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
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2YM7
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | | 登録日 | 2011-06-06 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
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7BMC
 | | Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide and stabilizing Fusicoccin A | | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | | 著者 | Centorrino, F, Andlovic, B, Ottmann, C. | | 登録日 | 2021-01-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3.
Acs Chem.Biol., 17, 2022
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7BM9
 | | Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide | | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Centorrino, F, Andlovic, B, Ottmann, C. | | 登録日 | 2021-01-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3.
Acs Chem.Biol., 17, 2022
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5SJE
 | | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one | | 分子名称: | 3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one, CHLORIDE ION, GLYCEROL, ... | | 著者 | Joseph, C, Benz, J, Flohr, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2022-02-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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4KLH
 | | DNA polymerase beta matched product complex with Mn2+, 40 s | | 分子名称: | 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | 著者 | Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H. | | 登録日 | 2013-05-07 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.876 Å) | | 主引用文献 | Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
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4KLT
 | | DNA polymerase beta mismatched product complex with Mn2+, 30 min | | 分子名称: | 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*A)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | 著者 | Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H. | | 登録日 | 2013-05-07 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.979 Å) | | 主引用文献 | Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
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4KO6
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4KOC
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2YGF
 | | L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin | | 分子名称: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL | | 著者 | Roe, M, Prodromou, C, Pearl, L.H. | | 登録日 | 2011-04-14 | | 公開日 | 2011-11-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
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2YJX
 | | Tricyclic series of Hsp90 inhibitors | | 分子名称: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Dupuy, A, Vallee, F. | | 登録日 | 2011-05-24 | | 公開日 | 2011-10-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
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4JZX
 | | Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+ | | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ... | | 著者 | Aripirala, S, Gabelli, S, Amzel, L.M. | | 登録日 | 2013-04-03 | | 公開日 | 2014-03-05 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
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2YBK
 | | JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE | | 分子名称: | (2R)-2-hydroxypentanedioic acid, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | 著者 | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | 登録日 | 2011-03-08 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
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