PDB: 37722 件ウェブページステータス検索Chemie searchBIRD

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4RQ1	Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dCTP soaked with MgCl2 for 1hr 分子名称: ACETATE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... 著者 Vyas, R, Suo, Z. 登録日 2014-10-31 公開日 2015-04-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc., 137, 2015
3R2J	Crystal Structure of PnC1 from L. infantum in complex with nicotinate 分子名称: Alpha/beta-hydrolase-like protein, CHLORIDE ION, NICOTINIC ACID, ... 著者 Gazanion, E, Garcia, D, Guichou, J.-F, Labesse, G, Sereno, D, Vergnes, B. 登録日 2011-03-14 公開日 2011-08-24 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 The Leishmania nicotinamidase is essential for NAD(+) production and parasite proliferation. Mol.Microbiol., 82, 2011
8E96	Glycine and glutamate bound Human GluN1a-GluN2D NMDA receptor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, GLYCINE, ... 著者 Kang, H, Furukawa, H. 登録日 2022-08-26 公開日 2022-12-07 最終更新日 2022-12-14 実験手法 ELECTRON MICROSCOPY (3.38 Å) 主引用文献 Structural insights into assembly and function of GluN1-2C, GluN1-2A-2C, and GluN1-2D NMDARs. Mol.Cell, 82, 2022
4RT3	Ternary complex crystal structure of DNA polymerase Beta with (alpha, beta)-NH-(beta,gamma)-CH2-dTTP 分子名称: 2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... 著者 Batra, V.K, Wilson, S.H. 登録日 2014-11-12 公開日 2015-07-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP. Org.Lett., 17, 2015
4RN4	Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety 分子名称: 2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B, Tanpure, R, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. 登録日 2014-10-22 公開日 2015-01-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site. J.Med.Chem., 58, 2015
5A09	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor 分子名称: 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... 著者 vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. 登録日 2015-04-17 公開日 2015-08-19 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
5AI6	ligand complex structure of soluble epoxide hydrolase 分子名称: 5-BROMOQUINOLINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5ALE	ligand complex structure of soluble epoxide hydrolase 分子名称: 4-chloro-2-isoxazol-5-yl-phenol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-03-08 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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
4RQ7	Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dATP soaked with MgCl2 for 1hr 分子名称: ACETATE ION, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... 著者 Vyas, R, Reed, A.J, Suo, Z. 登録日 2014-10-31 公開日 2015-04-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc., 137, 2015
4LK0	Crystal Structure Analysis of the E.coli holoenzyme/T7 Gp2 complex 分子名称: Bacterial RNA polymerase inhibitor, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... 著者 Bae, B, Darst, S.A. 登録日 2013-07-05 公開日 2013-11-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.9103 Å) 主引用文献 Phage T7 Gp2 inhibition of Escherichia coli RNA polymerase involves misappropriation of sigma 70 domain 1.1. Proc.Natl.Acad.Sci.USA, 110, 2013
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
5YJ0	Mouse Cereblon thalidomide binding domain complexed with S-form thalidomide 分子名称: Protein cereblon, S-Thalidomide, SULFATE ION, ... 著者 Mori, T, Hakoshima, T. 登録日 2017-10-06 公開日 2018-02-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural basis of thalidomide enantiomer binding to cereblon Sci Rep, 8, 2018
6B8M	Crystal Structure of the Ca2+/CaM:Kv7.4 (KCNQ4) AB Domain Complex, 1 mM CaCl2 soak 分子名称: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 4, ... 著者 Chang, A, Minor, D.L. 登録日 2017-10-09 公開日 2018-03-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A Calmodulin C-Lobe Ca Neuron, 97, 2018
4RUZ	Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide 分子名称: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Pinard, M.A, Mckenna, R. 登録日 2014-11-23 公開日 2015-04-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg.Med.Chem., 23, 2015
7K95	Crystal structure of human CPSF30 in complex with hFip1 分子名称: Isoform 2 of Cleavage and polyadenylation specificity factor subunit 4, Pre-mRNA 3'-end-processing factor FIP1, ZINC ION 著者 Hamilton, K, Tong, L. 登録日 2020-09-28 公開日 2020-11-11 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular mechanism for the interaction between human CPSF30 and hFip1. Genes Dev., 34, 2020
6BGF	Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase 分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... 著者 Liu, A, Li, J, Shin, I. 登録日 2017-10-28 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.251 Å) 主引用文献 Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat.Chem.Biol., 14, 2018
4GU9	Focal adhesion kinase catalytic domain in complex with (2-Fluoro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 分子名称: Focal adhesion kinase 1, N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 著者 Musil, D. 登録日 2012-08-29 公開日 2013-09-04 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors. J.Med.Chem., 56, 2013
6BBA	Crystal structure of human mitochondrial ClpP complex with acyldepsipeptide ADEP-28 分子名称: ATP-dependent Clp protease proteolytic subunit, mitochondrial, Acyldepsipeptide ADEP-28 著者 Mabanglo, M.F, Houry, W.A. 登録日 2017-10-17 公開日 2018-07-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.796 Å) 主引用文献 Acyldepsipeptide Analogs Dysregulate Human Mitochondrial ClpP Protease Activity and Cause Apoptotic Cell Death. Cell Chem Biol, 25, 2018
5Y3L	Crystal structure of horse TLR9 in complex with two DNAs (CpG DNA and CCGCAC DNA) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*AP*GP*GP*CP*GP*TP*TP*TP*TP*T)-3'), ... 著者 Ohto, U, Shimizu, T. 登録日 2017-07-29 公開日 2018-04-18 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Toll-like Receptor 9 Contains Two DNA Binding Sites that Function Cooperatively to Promote Receptor Dimerization and Activation Immunity, 48, 2018
4GUS	Crystal structure of LSD2-NPAC with H3 in space group P3221 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ... 著者 Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y. 登録日 2012-08-29 公開日 2013-01-16 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation Mol.Cell, 49, 2013
5YTE	Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with with natural dT:dATP base pair 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... 著者 Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. 登録日 2017-11-17 公開日 2018-11-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
7E1A	Human bile salt exporter ABCB11 in complex with taurocholate 分子名称: Bile salt export pump, TAUROCHOLIC ACID 著者 Wang, L, How, W.T, Chen, Y. 登録日 2021-02-01 公開日 2022-02-09 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (3.66 Å) 主引用文献 Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets. Cell Res., 32, 2022
8E34	CryoEM structures of bAE1 captured in multiple states 分子名称: Anion exchange protein 著者 Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. 登録日 2022-08-16 公開日 2023-01-25 最終更新日 2024-06-12 実験手法 ELECTRON MICROSCOPY (6 Å) 主引用文献 CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations. Commun Biol, 5, 2022
5BX6	PKA in complex with a halogenated phthalazinone fragment compound. 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-chlorophthalazin-1(2H)-one, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Narayanan, D, Alam, K.A, Engh, R.A. 登録日 2015-06-08 公開日 2016-09-14 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 PKA based studies of ligand interactions with a methionine gatekeeper. To Be Published

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