PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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4F4U	The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5 分子名称: NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ZINC ION, ... 著者 Zhou, Y, Hao, Q. 登録日 2012-05-11 公開日 2012-06-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5) J.Biol.Chem., 287, 2012
5EI6	Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach 分子名称: DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine 著者 Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. 登録日 2015-10-29 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
5EHY	Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach 分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... 著者 Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. 登録日 2015-10-29 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
6S2X	Crystal structure of the Legionella pneumophila ChiA C-terminal domain 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ChiA 著者 Garnett, J.A, Shaw, R. 登録日 2019-06-23 公開日 2020-04-22 最終更新日 2020-05-13 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Structure and functional analysis of the Legionella pneumophila chitinase ChiA reveals a novel mechanism of metal-dependent mucin degradation. Plos Pathog., 16, 2020
5EI8	Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach 分子名称: DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine 著者 Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. 登録日 2015-10-29 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
7LAD	Clobetasol propionate bound to CYP3A5 分子名称: Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE 著者 Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. 登録日 2021-01-06 公開日 2021-10-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5. J.Am.Chem.Soc., 143, 2021
4I91	Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. 分子名称: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2012-12-04 公開日 2013-07-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6. J.Am.Chem.Soc., 135, 2013
7MK8	Crystal structure of a surface mutant of human fetal-specific CYP3A7 bound to dithiothreitol 分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Isoform 2 of Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sevrioukova, I.F. 登録日 2021-04-21 公開日 2021-06-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural Basis for the Diminished Ligand Binding and Catalytic Ability of Human Fetal-Specific CYP3A7. Int J Mol Sci, 22, 2021
5EHO	Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach 分子名称: DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine 著者 Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. 登録日 2015-10-28 公開日 2016-11-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach To Be Published
7ML7	Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection 分子名称: Chondroitin sulfate proteoglycan 4, Toxin B, ZINC ION 著者 Chen, P, Jin, R. 登録日 2021-04-27 公開日 2021-06-09 最終更新日 2021-06-30 実験手法 ELECTRON MICROSCOPY (3.17 Å) 主引用文献 Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection. Nat Commun, 12, 2021
1YIQ	Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADHIIG from Pseudomonas putida HK5. Compariison to the other quinohemoprotein alcohol dehydrogenase ADHIIB found in the same microorganism. 分子名称: CALCIUM ION, HEME C, PYRROLOQUINOLINE QUINONE, ... 著者 Toyama, H, Chen, Z.W, Fukumoto, M, Adachi, O, Matsushita, K, Mathews, F.S. 登録日 2005-01-12 公開日 2005-08-16 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADH-IIG from Pseudomonas putida HK5 J.Mol.Biol., 352, 2005
3RBW	Crystal structure of Spire KIND domain 分子名称: Protein spire homolog 1 著者 Vizcarra, C.L, Kreutz, B, Rodal, A.A, Toms, A.V, Lu, J, Zheng, W, Quinlan, M.E, Eck, M.J. 登録日 2011-03-30 公開日 2011-07-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structure of the Spire KIND domain and insights into its interaction with Fmn-family formins Proc.Natl.Acad.Sci.USA, 2011
7KBS	Estrogen Receptor Alpha Ligand Binding Domain in Complex with Raloxifene 分子名称: Estrogen receptor, RALOXIFENE 著者 Fanning, S.W. 登録日 2020-10-02 公開日 2020-11-18 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.834 Å) 主引用文献 Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
6U7L	2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli. 分子名称: CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming) 著者 Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-09-03 公開日 2019-11-06 最終更新日 2021-01-27 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment. Protein Sci., 29, 2020
5E8P	The structure of the TEIPP associated altered peptide ligand Trh4-p5NLE in complex with H-2D(b) 分子名称: Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ... 著者 Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. 登録日 2015-10-14 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer. J Immunol., 196, 2016
5E9I	Crystal Structure of BAZ2B bromodomain in complex with fragment F60 分子名称: 1H-indol-6-ol, Bromodomain adjacent to zinc finger domain protein 2B 著者 Lolli, G, Caflisch, A. 登録日 2015-10-15 公開日 2016-03-16 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016
5E9M	Crystal Structure of BAZ2B bromodomain in complex with N-methyltrimethylacetamide 分子名称: Bromodomain adjacent to zinc finger domain protein 2B, N-methyltrimethylacetamide 著者 Lolli, G, Caflisch, A. 登録日 2015-10-15 公開日 2016-03-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.778 Å) 主引用文献 High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016
3S4R	Crystal structure of vimentin coil1A/1B fragment with a stabilizing mutation 分子名称: GLYCEROL, Vimentin 著者 Chernyatina, A.A, Strelkov, S.V. 登録日 2011-05-20 公開日 2012-08-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.452 Å) 主引用文献 Atomic structure of the vimentin central alpha-helical domain and its implications for intermediate filament assembly. Proc.Natl.Acad.Sci.USA, 109, 2012
2GTN	Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 分子名称: 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION 著者 Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. 登録日 2006-04-28 公開日 2006-07-11 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
2GU8	Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies 分子名称: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ... 著者 Murray, J.M. 登録日 2006-04-28 公開日 2007-05-01 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies Bioorg.Med.Chem.Lett., 16, 2006
1ZUA	Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat 分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT 著者 Gallego, O, Ruiz, F.X, Ardevol, A, Dominguez, M, Alvarez, R, de Lera, A.R, Rovira, C, Farres, J, Fita, I, Pares, X. 登録日 2005-05-30 公開日 2006-11-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10. Proc.Natl.Acad.Sci.USA, 104, 2007
7JZS	Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with CoA 分子名称: Aminoglycoside 2'-N-acetyltransferase, COENZYME A, DI(HYDROXYETHYL)ETHER, ... 著者 Park, J, Bassenden, A.V, Berghuis, A.M. 登録日 2020-09-02 公開日 2021-06-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes. Sci Rep, 11, 2021
2EBW	Solution structure of the BRCT domain from human DNA repair protein REV1 分子名称: DNA repair protein REV1 著者 Nagashima, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2007-02-09 公開日 2007-08-14 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution structure of the BRCT domain from human DNA repair protein REV1 To be Published
4CB9	Structure of full-length CTNNBL1 in P43212 space group 分子名称: BETA-CATENIN-LIKE PROTEIN 1 著者 Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. 登録日 2013-10-10 公開日 2013-12-04 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha FEBS Lett., 588, 2014
4BXO	Architecture and DNA recognition elements of the Fanconi anemia FANCM- FAAP24 complex 分子名称: 5'-D(*GP*AP*TP*GP*AP*TP*GP*CP*TP*GP*CP)-3', 5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*AP*TP*CP)-3', CALCIUM ION, ... 著者 Coulthard, R, Deans, A, Swuec, P, Bowles, M, Purkiss, A, Costa, A, West, S, McDonald, N. 登録日 2013-07-15 公開日 2013-08-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Architecture and DNA Recognition Elements of the Fanconi Anemia Fancm-Faap24 Complex. Structure, 21, 2013

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