PDB: 19129 件ウェブページステータス検索Chemie searchBIRD

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8CCK	Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry H07 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... 著者 Fuesser, F.T, Koch, O, Kuemmel, D. 登録日 2023-01-27 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space To Be Published
6I4P	Crystal structure of the disease-causing G194C mutant of the human dihydrolipoamide dehydrogenase 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... 著者 Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. 登録日 2018-11-10 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
8CCJ	Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with NADPH 分子名称: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Fuesser, F.T, Koch, O, Kuemmel, D. 登録日 2023-01-27 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space To Be Published
8CCL	Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry A09 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... 著者 Fuesser, F.T, Koch, O, Kuemmel, D. 登録日 2023-01-27 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space To Be Published
8CCM	Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with Compound 2-06 分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Fuesser, F.T, Koch, O, Kuemmel, D. 登録日 2023-01-27 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space To Be Published
6I8L	Crystal structure of Spindlin1 in complex with the inhibitor TD001851a 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ... 著者 Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. 登録日 2018-11-20 公開日 2018-12-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
6IAN	T. brucei IFT22/74/81 GTP-bound crystal structure 分子名称: GUANOSINE-5'-TRIPHOSPHATE, Intraflagellar transport protein 74, Intraflagellar transport protein 81, ... 著者 Wachter, S, Basquin, J, Lorentzen, E. 登録日 2018-11-27 公開日 2019-05-01 最終更新日 2019-05-08 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Binding of IFT22 to the intraflagellar transport complex is essential for flagellum assembly. Embo J., 38, 2019
6I8Y	Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ... 著者 Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. 登録日 2018-11-21 公開日 2018-12-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
6I8B	Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn 分子名称: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... 著者 Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. 登録日 2018-11-19 公開日 2018-12-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
6ICI	Crystal structure of human MICAL3 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, [F-actin]-monooxygenase MICAL3 著者 Hwang, K.Y, Kim, J.S. 登録日 2018-09-06 公開日 2020-03-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and kinetic insights into flavin-containing monooxygenase and calponin-homology domains in human MICAL3. Iucrj, 7, 2020
2VKL	X-ray crystal structure of the intracellular Chorismate mutase from Mycobactrerium Tuberculosis in complex with malate 分子名称: D-MALATE, RV0948C/MT0975 著者 Okvist, M, Roderer, K, Sasso, S, Kast, P, Krengel, U. 登録日 2007-12-20 公開日 2008-01-15 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure and Function of a Complex between Chorismate Mutase and Dahp Synthase: Efficiency Boost for the Junior Partner. Embo J., 28, 2009
6IA7	T. brucei IFT22 GTP-bound crystal structure 分子名称: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, Intraflagellar transport protein 22, ... 著者 Wachter, S, Basquin, J, Lorentzen, E. 登録日 2018-11-26 公開日 2019-04-10 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Binding of IFT22 to the intraflagellar transport complex is essential for flagellum assembly. Embo J., 38, 2019
6IAE	T. brucei IFT22 GDP-bound crystal structure 分子名称: GUANOSINE-5'-TRIPHOSPHATE, Intraflagellar transport protein 22, MAGNESIUM ION 著者 Wachter, S, Basquin, J, Lorentzen, E. 登録日 2018-11-26 公開日 2019-04-10 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Binding of IFT22 to the intraflagellar transport complex is essential for flagellum assembly. Embo J., 38, 2019
6I4R	Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... 著者 Szabo, E, Wilk, P, Bui, D, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. 登録日 2018-11-10 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.439 Å) 主引用文献 Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
2C6E	Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor 分子名称: N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 著者 Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. 登録日 2005-11-09 公開日 2006-01-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
2XA0	Crystal structure of BCL-2 in complex with a BAX BH3 peptide 分子名称: APOPTOSIS REGULATOR BAX, APOPTOSIS REGULATOR BCL-2 著者 Ku, B, Oh, B.H. 登録日 2010-03-25 公開日 2010-11-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Evidence that Inhibition of Bax Activation by Bcl- 2 Involves its Tight and Preferential Interaction with the Bh3 Domain of Bax. Cell Res., 21, 2011
6IWY	Crystal structure of the flagellar cap protein FliD from Helicobacter pylori 分子名称: Flagellar hook-associated protein 2 著者 Cho, S.Y, Song, W.S, Yoon, S.I. 登録日 2018-12-08 公開日 2019-05-22 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural analysis of the flagellar capping protein FliD from Helicobacter pylori. Biochem.Biophys.Res.Commun., 514, 2019
2C6D	Aurora A kinase activated mutant (T287D) in complex with ADPNP 分子名称: GLYCEROL, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. 登録日 2005-11-09 公開日 2006-01-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
6JM9	cryo-EM structure of DOT1L bound to unmodified nucleosome 分子名称: DNA strand I, DNA strand J, Histone H2A, ... 著者 Jang, S, Song, J.J. 登録日 2019-03-07 公開日 2019-05-15 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (7.3 Å) 主引用文献 Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase. Genes Dev., 33, 2019
2BZW	The crystal structure of BCL-XL in complex with full-length BAD 分子名称: APOPTOSIS REGULATOR BCL-X, BCL2-ANTAGONIST OF CELL DEATH 著者 Lee, K.-H, Han, W.-D, Kim, K.-J, Oh, B.-H. 登録日 2005-08-24 公開日 2007-02-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and Biochemical Bases for the Inhibition of Autophagy and Apoptosis by Viral Bcl-2 of Murine Gamma-Herpesvirus 68. Plos Pathog., 4, 2008
6JKG	The NAD+-free form of human NSDHL 分子名称: Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating 著者 Kim, D, Lee, S.J, Lee, B. 登録日 2019-02-28 公開日 2020-03-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity. Cell.Mol.Life Sci., 78, 2021
6JHK	Crystal Structure of Bacillus subtilis RsbS 分子名称: RsbS negative regulator of sigma-B 著者 Kwon, E, Pathak, D, Dahal, P, Kim, D.Y. 登録日 2019-02-18 公開日 2019-09-11 最終更新日 2019-11-20 実験手法 X-RAY DIFFRACTION (3.101 Å) 主引用文献 Structural insights into stressosome assembly. Iucrj, 6, 2019
6JKH	The NAD+-bound form of human NSDHL 分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating 著者 Kim, D, Lee, S.J, Lee, B. 登録日 2019-02-28 公開日 2020-03-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity. Cell.Mol.Life Sci., 78, 2021
6JMA	cryo-EM structure of DOT1L bound to H2B ubiquitinated nucleosome 分子名称: DNA I&J, Histone H2A, Histone H2B 1.1, ... 著者 Jang, S, Song, J.J. 登録日 2019-03-07 公開日 2019-05-15 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (6.8 Å) 主引用文献 Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase. Genes Dev., 33, 2019
2CLX	4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects 分子名称: 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, CELL DIVISION PROTEIN KINASE 2 著者 Krystof, V, Cankar, P, Frysova, I, Slouka, J, Kontopidis, G, Dzubak, P, Hajduch, M, Deazevedo, W.F, Paprskarova, M, Orsag, M, Rolcik, J, Latr, A, Fischer, P.M, Strnad, M. 登録日 2006-05-02 公開日 2006-11-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 4-Arylazo-3,5-Diamino-1H-Pyrazole Cdk Inhibitors: Sar Study, Crystal Structure in Complex with Cdk2, Selectivity, and Cellular Effects J.Med.Chem., 49, 2006

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