PDB: 42091 件ウェブページステータス検索Chemie searchBIRD

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6ERW	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ... 著者 Mueller, J.M, Heine, A, Klebe, G. 登録日 2017-10-19 公開日 2018-10-31 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
4IWJ	Crystal structure of iron soaked (45 min) ferritin from Pseudo-nitzschia multiseries 分子名称: FE (III) ION, Ferritin 著者 Pfaffen, S, Murphy, M.E.P. 登録日 2013-01-23 公開日 2013-03-20 最終更新日 2025-03-26 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Mechanism of ferrous iron binding and oxidation by ferritin from a pennate diatom. J.Biol.Chem., 288, 2013
4IXK	Anaerobic crystal structure of iron soaked (2 h) ferritin from Pseudo-nitzschia multiseries 分子名称: FE (III) ION, Ferritin 著者 Pfaffen, S, Murphy, M.E.P. 登録日 2013-01-26 公開日 2013-03-20 最終更新日 2025-03-26 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mechanism of ferrous iron binding and oxidation by ferritin from a pennate diatom. J.Biol.Chem., 288, 2013
6WL6	Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE 分子名称: 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase 著者 Klein, M.G, Ambrus-Aikelin, G. 登録日 2020-04-18 公開日 2020-08-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase. Acs Med.Chem.Lett., 11, 2020
6Y03	Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hubert, L.-S, Ley, M, Heine, A, Klebe, G. 登録日 2020-02-06 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket To Be Published
6T97	Trypanothione Reductase from Leismania infantum in complex with TRL190 分子名称: 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Carriles, A, Hermoso, J.A. 登録日 2019-10-26 公開日 2020-11-18 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity To Be Published
4DOP	Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, R mutant 分子名称: Cation efflux system protein CusA, Cation efflux system protein CusB 著者 Su, C.-C, Long, F, Yu, E. 登録日 2012-02-10 公開日 2012-06-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (4.2 Å) 主引用文献 Charged Amino Acids (R83, E567, D617, E625, R669, and K678) of CusA Are Required for Metal Ion Transport in the Cus Efflux System. J.Mol.Biol., 422, 2012
6X34	Pig R615C RyR1 EGTA (all classes, open) 分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ZINC ION 著者 Woll, K.W, Haji-Ghassemi, O, Van Petegem, F. 登録日 2020-05-21 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (4.7 Å) 主引用文献 Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM. Nat Commun, 12, 2021
8YRT	Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis in the holo form obtained at pH 7.0 分子名称: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE 著者 Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Boyko, K.M. 登録日 2024-03-21 公開日 2024-04-17 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Incorporation of pyridoxal-5'-phosphate into the apoenzyme: A structural study of D-amino acid transaminase from Haliscomenobacter hydrossis. Biochim Biophys Acta Proteins Proteom, 1873, 2024
4LLR	Tryparedoxin peroxidase (TXNPX) from trypanosoma cruzi in the reduced state 分子名称: Tryparedoxin peroxidase 著者 Pineyro, M.D, Pizarro, J.C, Lema, F, Pritsch, O, Cayota, A, Bentley, G.A, Robello, C. 登録日 2013-07-09 公開日 2013-10-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of the TRYPAREDOXIN PEROXIDASE from the human parasite TRYPANOSOMA CRUZI J.STRUCT.BIOL., 150, 2005
4DOR	Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1 分子名称: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0 group B member 2, Nuclear receptor subfamily 5 group A member 2 著者 Musille, P.M, Ortlund, E.A. 登録日 2012-02-10 公開日 2012-04-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation. Nat.Struct.Mol.Biol., 19, 2012
4LM7	Crystal structure of HCoV-OC43 N-NTD complexed with UMP 分子名称: Nucleoprotein, URIDINE-5'-MONOPHOSPHATE 著者 Lin, S.Y, Liu, C.L, Hou, M.H. 登録日 2013-07-10 公開日 2014-05-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target J.Med.Chem., 57, 2014
3P3J	Human carbonic anhydrase II in complex with p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Salmon, A.J. 登録日 2010-10-05 公開日 2011-09-21 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012
3IID	Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form A) 分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1, ... 著者 Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K. 登録日 2009-07-31 公開日 2009-08-18 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation. Nat.Struct.Mol.Biol., 16, 2009
3SO6	Crystal structure of the LDL receptor tail in complex with autosomal recessive hypercholesterolemia PTB domain 分子名称: LDL receptor adaptor protein, Low-density lipoprotein receptor 著者 Dvir, H, Zajonc, D.M. 登録日 2011-06-29 公開日 2012-04-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Atomic structure of the autosomal recessive hypercholesterolemia phosphotyrosine-binding domain in complex with the LDL-receptor tail. Proc.Natl.Acad.Sci.USA, 109, 2012
4LNB	Aspergillus fumigatus protein farnesyltransferase ternary complex with farnesyldiphosphate and ethylenediamine scaffold inhibitor 5 分子名称: 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ... 著者 Mabanglo, M.F, Hast, M.A, Beese, L.S. 登録日 2013-07-11 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.752 Å) 主引用文献 Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design. Protein Sci., 23, 2014
6T2T	Crystal structure of Drosophila melanogaster glutathione S-transferase epsilon 14 in complex with glutathione and 2-methyl-2,4-pentanediol 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase E14 著者 Skerlova, J, Lindstrom, H, Sjodin, B, Gonis, E, Neiers, F, Mannervik, B, Stenmark, P. 登録日 2019-10-09 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Structure and steroid isomerase activity of Drosophila glutathione transferase E14 essential for ecdysteroid biosynthesis. Febs Lett., 594, 2020
3ZVY	PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ... 著者 Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P. 登録日 2011-07-28 公開日 2011-12-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers. Plos One, 6, 2011
8YRU	Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis (apo form) after 15 sec of soaking with phenylhydrazine 分子名称: ACETATE ION, Aminotransferase class IV, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate 著者 Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Boyko, K.M. 登録日 2024-03-21 公開日 2024-04-17 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Incorporation of pyridoxal-5'-phosphate into the apoenzyme: A structural study of D-amino acid transaminase from Haliscomenobacter hydrossis. Biochim Biophys Acta Proteins Proteom, 1873, 2024
6E9L	Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor 分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha 著者 Judge, R.A, Hobson, A.D. 登録日 2018-08-01 公開日 2018-11-14 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design. J. Med. Chem., 61, 2018
6Y0B	Crystal structure of the cAMP-dependent protein kinase A cocrystallized with quinazolin-4-amine and PKI (5-24) 分子名称: DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... 著者 Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. 登録日 2020-02-07 公開日 2021-02-17 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
3P4V	Human carbonic anhydrase II in complex with (+)-Xylariamide A 分子名称: 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine, Carbonic anhydrase 2, ZINC ION 著者 Hofmann, A, Nankervis, T, Davis, R. 登録日 2010-10-07 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases. J.Med.Chem., 54, 2011
4DSO	Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... 著者 Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. 登録日 2012-02-19 公開日 2012-04-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
4DSU	Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity 分子名称: BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... 著者 Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. 登録日 2012-02-19 公開日 2012-04-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
8YR2	Structure of NET-Nisoxetine in outward-open state 分子名称: CHLORIDE ION, CHOLESTEROL, SODIUM ION, ... 著者 Zhang, H, Xu, E.H, Jiang, Y. 登録日 2024-03-20 公開日 2024-05-29 最終更新日 2025-06-25 実験手法 ELECTRON MICROSCOPY (2.89 Å) 主引用文献 Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024

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