PDB: 42250 件ウェブページステータス検索Chemie searchBIRD

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6DD4	Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor 分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... 著者 dos Reis, C.V, Santiago, A.S, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) 登録日 2018-05-09 公開日 2018-05-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor To Be Published
6U9A	Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 5 分子名称: 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha 著者 Cuesta, A, Wan, X, Taunton, J. 登録日 2019-09-07 公開日 2020-02-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90. J.Am.Chem.Soc., 142, 2020
7SUY	Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.405 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
6U85	Site-specific lysine arylation as an alternative bioconjugation strategy for chemically programmed antibodies and antibody-drug conjugates 分子名称: Antibody Fab heavy chain, GLYCEROL, antibody Fab Light chain 著者 Park, H, Rader, C. 登録日 2019-09-04 公開日 2019-11-13 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Site-Specific Lysine Arylation as an Alternative Bioconjugation Strategy for Chemically Programmed Antibodies and Antibody-Drug Conjugates. Bioconjug.Chem., 30, 2019
7SUW	Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 McKenna, R, Combs, J.E. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.456 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7QBN	Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... 著者 Benysek, J, Busa, M, Mares, M. 登録日 2021-11-19 公開日 2022-01-26 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
6U8W	Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA 分子名称: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... 著者 Gao, L, Zhang, Z.M, Song, J. 登録日 2019-09-06 公開日 2020-06-10 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (2.94891548 Å) 主引用文献 Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
4QK1	Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - K170P 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Boone, C.D, Rasi, V, McKenna, R. 登録日 2014-06-05 公開日 2015-03-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II. Febs J., 282, 2015
6UDE	Crystal structure of Glycerol kinase from Elizabethkingia anophelis NUHP1 in complex with ADP and glycerol 分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Glycerol kinase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2019-09-19 公開日 2019-10-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of Glycerol kinase from Elizabethkingia anophelis NUHP1 in complex with ADP and glycerol TO BE PUBLISHED
1YKQ	Crystal structure of Diels-Alder ribozyme 分子名称: CADMIUM ION, Diels-Alder ribozyme, MAGNESIUM ION 著者 Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J. 登録日 2005-01-18 公開日 2005-02-22 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation. Nat.Struct.Mol.Biol., 12, 2005
7QBM	Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 分子名称: ACETATE ION, Cathepsin K, MAGNESIUM ION, ... 著者 Benysek, J, Busa, M, Mares, M. 登録日 2021-11-19 公開日 2022-01-26 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
6DRA	Low IP3 Ca2+ human type 3 1,4,5-inositol trisphosphate receptor 分子名称: CALCIUM ION, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION 著者 Hite, R.K, Paknejad, N. 登録日 2018-06-11 公開日 2018-08-01 最終更新日 2024-10-23 実験手法 ELECTRON MICROSCOPY (3.96 Å) 主引用文献 Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3. Nat. Struct. Mol. Biol., 25, 2018
1YNN	Taq RNA polymerase-rifampicin complex 分子名称: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ... 著者 Campbell, E.A, Pavlova, O, Zenkin, N, Leon, F, Irschik, H, Jansen, R, Severinov, K, Darst, S.A. 登録日 2005-01-24 公開日 2005-03-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural, functional, and genetic analysis of sorangicin inhibition of bacterial RNA polymerase Embo J., 24, 2005
4QOZ	Crystal structure of the histone mRNA stem-loop, stem-loop binding protein (phosphorylated), and 3'hExo ternary complex 分子名称: 3'-5' exoribonuclease 1, Histone RNA hairpin-binding protein, histone mRNA stem-loop 著者 Tan, D, Tong, L. 登録日 2014-06-21 公開日 2014-07-23 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.304 Å) 主引用文献 Molecular mechanisms for the regulation of histone mRNA stem-loop-binding protein by phosphorylation. Proc.Natl.Acad.Sci.USA, 111, 2014
4QPE	Crystal structure of Aminopeptidase N in complex with N-cyclohexyl-1,2-diaminoethylphosphonic acid 分子名称: Aminopeptidase N, SULFATE ION, ZINC ION, ... 著者 Nocek, B, Mulligan, R, Berlicki, L, Vassilious, S, Mucha, A, Joachimiak, A. 登録日 2014-06-23 公開日 2014-09-24 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.004 Å) 主引用文献 Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
1YKV	Crystal structure of the Diels-Alder ribozyme complexed with the product of the reaction between N-pentylmaleimide and covalently attached 9-hydroxymethylanthracene 分子名称: (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE, Diels-Alder ribozyme, MAGNESIUM ION 著者 Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J. 登録日 2005-01-18 公開日 2005-02-22 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation. Nat.Struct.Mol.Biol., 12, 2005
4ZWI	Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor 分子名称: (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Lomelino, C.L, Mahon, B.P, McKenna, M. 登録日 2015-05-19 公開日 2015-08-26 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Observed surface lysine acetylation of human carbonic anhydrase II expressed in Escherichia coli. Protein Sci., 24, 2015
4QIY	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Manakova, E, Smirnov, A, Grazulis, S. 登録日 2014-06-03 公開日 2015-04-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
4ZWZ	Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. 登録日 2015-05-19 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
7QBL	Structure of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 分子名称: Cathepsin K, ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate 著者 Benysek, J, Busa, M, Mares, M. 登録日 2021-11-19 公開日 2022-01-26 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
4QHP	Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(4-CH2NH2) 分子名称: (2R)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, (2S)-2-[4-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, ... 著者 Nocek, B, Joachimiak, A. 登録日 2014-05-28 公開日 2014-09-24 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
6U4W	1.4 A structure of a pathogenic human Syt 1 C2B (D366E) 分子名称: SULFATE ION, Synaptotagmin-1 著者 Dominguez, M.J, Bradberry, M.M, Chapman, E.R, Sutton, R.B. 登録日 2019-08-26 公開日 2020-05-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Molecular Basis for Synaptotagmin-1-Associated Neurodevelopmental Disorder. Neuron, 107, 2020
4QIW	Crystal structure of euryarchaeal RNA polymerase from Thermococcus kodakarensis 分子名称: DNA-directed RNA polymerase, DNA-directed RNA polymerase subunit A'', DNA-directed RNA polymerase subunit D, ... 著者 Jun, S.-H, Murakami, K.S. 登録日 2014-06-02 公開日 2014-10-08 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 The X-ray crystal structure of the euryarchaeal RNA polymerase in an open-clamp configuration. Nat Commun, 5, 2014
7Q9U	Crystal structure of the high affinity KRas mutant PDE6D complex 分子名称: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ... 著者 Yelland, T, Ismail, I. 登録日 2021-11-14 公開日 2022-01-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.238 Å) 主引用文献 Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling. J.Med.Chem., 65, 2022
6TWN	Crystal structure of Talin1 R7R8 in complex with CDK1 (206-223) 分子名称: CHLORIDE ION, Cyclin-dependent kinase 1, GLYCEROL, ... 著者 Zacharchenko, T, Muench, S.P, Goult, B.T. 登録日 2020-01-13 公開日 2021-05-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Talin mechanosensitivity is modulated by a direct interaction with cyclin-dependent kinase-1. J.Biol.Chem., 297, 2021

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