PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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5LUX	Homeobox transcription factor CDX1 bound to methylated DNA 分子名称: DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ... 著者 Morgunova, E, Popov, A, Taipale, J. 登録日 2016-09-12 公開日 2017-05-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.23 Å) 主引用文献 Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
5LYC	Cytochrome c in complex with phosphonato-calix[6]arene 分子名称: Cytochrome c iso-1, HEME C, SULFATE ION, ... 著者 Rennie, M.L, Crowley, P.B. 登録日 2016-09-27 公開日 2017-05-10 最終更新日 2019-09-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Protein Dimerization on a Phosphonated Calix[6]arene Disc. Angew. Chem. Int. Ed. Engl., 56, 2017
5LVI	Hen Egg White Lysozyme co-crystallized with [HIsq][trans-RuCl4(DMSO)(Isq)] 分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ... 著者 Kurpiewska, K, Halajko, P, Lewinski, K. 登録日 2016-09-14 公開日 2016-09-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme To Be Published
5LVM	Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site 分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL 著者 Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. 登録日 2016-09-14 公開日 2016-10-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
5ISK	Endothiapepsin in complex with fluorinated primary amine fragment 分子名称: 2-amino-1-(4-fluorophenyl)ethan-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2016-03-15 公開日 2017-03-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library to be published
5LWT	Endothiapepsin in complex with a methoxylated derivative of fragment 177 分子名称: 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-09-19 公開日 2017-08-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.069 Å) 主引用文献 A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
5I0B	Structure of PAK4 分子名称: 6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine, Serine/threonine-protein kinase PAK 4 著者 Park, S.Y. 登録日 2016-02-03 公開日 2016-12-14 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.09 Å) 主引用文献 The discovery and the structural basis of an imidazo[4,5-b]pyridine-based p21-activated kinase 4 inhibitor Bioorg. Med. Chem. Lett., 26, 2016
5I3V	Crystal structure of BACE1 in complex with aminoquinoline compound 1 分子名称: (2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ... 著者 Whittington, D.A, Long, A.M. 登録日 2016-02-11 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
5M51	Nek2 bound to arylaminopurine compound 8 分子名称: 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide, Serine/threonine-protein kinase Nek2 著者 Bayliss, R, Yeoh, S. 登録日 2016-10-20 公開日 2016-11-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.899 Å) 主引用文献 Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
5M53	Nek2 bound to arylaminopurine inhibitor 11 分子名称: 1,2-ETHANEDIOL, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide, DI(HYDROXYETHYL)ETHER, ... 著者 Bayliss, R, Carr, K.H. 登録日 2016-10-20 公開日 2016-11-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
5IBH	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h 分子名称: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.0201 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5LVG	Hen Egg White Lysozyme co-crystallized with cis-Ru(DMSO)4Cl2 分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ... 著者 Kurpiewska, K, Halajko, P, Lewinski, K. 登録日 2016-09-14 公開日 2016-09-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme To Be Published
5LVK	Human Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)] 分子名称: CHLORIDE ION, Lysozyme C, NITRATE ION, ... 著者 Kurpiewska, K, Szura, A, Lewinski, K. 登録日 2016-09-14 公開日 2016-09-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.491 Å) 主引用文献 Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme To Be Published
5IH5	Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A 分子名称: 6-(3-chlorophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ... 著者 Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H. 登録日 2016-02-29 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1. Cell Chem Biol, 23, 2016
5IBG	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b 分子名称: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5ILE	H64A sperm whale myoglobin with a Fe-tolyl moiety 分子名称: Myoglobin, SULFATE ION, [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron 著者 Wang, B, Thomas, L.M, Richter-Addo, G.B. 登録日 2016-03-03 公開日 2016-09-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
5IG1	Crystal structure of S. rosetta CaMKII kinase domain 分子名称: CAMK/CAMK2 protein kinase, PHOSPHATE ION 著者 Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J. 登録日 2016-02-26 公開日 2016-03-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II. Elife, 5, 2016
5IIS	Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold 分子名称: 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase pim-1 著者 Bellamacina, C, Bussiere, D, Burger, M. 登録日 2016-03-01 公開日 2016-04-06 最終更新日 2016-05-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold. Bioorg.Med.Chem.Lett., 26, 2016
5ILF	The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 4, a platin(II) compound containing a O, S bidentate ligand 分子名称: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Merlino, A, Ferraro, G. 登録日 2016-03-04 公開日 2016-12-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. Dalton Trans, 45, 2016
5IKW	Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor 分子名称: BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide 著者 Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) 登録日 2016-03-04 公開日 2016-06-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A To Be Published
5IRF	Reverse transcriptase domain of group II intron maturase from Roseburia intestinalis in P1 space group 分子名称: POTASSIUM ION, Retron-type reverse transcriptase 著者 Zhao, C, Pyle, A.M. 登録日 2016-03-13 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution. Nat.Struct.Mol.Biol., 23, 2016
5IS4	Endothiapepsin in complex with chiral brominated primary amine fragment 分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2016-03-15 公開日 2017-03-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.368 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library to be published
5IBJ	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6 分子名称: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5I70	Crystal Structure of plasmepsin IV 分子名称: Pepstatin A, Plasmepsin IV 著者 Asojo, O.A. 登録日 2016-02-16 公開日 2016-03-09 最終更新日 2017-09-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal Structure of plasmepsin IV To Be Published
5IEY	Crystal structure of a CDK inhibitor bound to CDK2 分子名称: 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide, Cyclin-dependent kinase 2 著者 Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. 登録日 2016-02-25 公開日 2016-04-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016

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