PDB: 45953 件ウェブページステータス検索Chemie searchBIRD

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5Z9E	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-02 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9N	S.aureus GyrB ATPase domain in complex with 4,6-dichloro-2-(methylthio)pyrimidine 分子名称: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION 著者 Huang, X, Zhou, H. 登録日 2018-02-03 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.54 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
6FEW	DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1% 分子名称: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1 著者 Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. 登録日 2018-01-03 公開日 2018-11-28 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
6FIO	DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7% 分子名称: 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1 著者 Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. 登録日 2018-01-19 公開日 2018-11-28 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
1C6V	SIV INTEGRASE (CATALYTIC DOMAIN + DNA BIDING DOMAIN COMPRISING RESIDUES 50-293) MUTANT WITH PHE 185 REPLACED BY HIS (F185H) 分子名称: PROTEIN (SIU89134), PROTEIN (SIV INTEGRASE) 著者 Chen, Z, Yan, Y, Munshi, S, Li, Y, Zruygay-Murphy, J, Xu, B, Witmer, M, Felock, P, Wolfe, A, Sardana, V, Emini, E.A, Hazuda, D, Kuo, L.C. 登録日 1999-12-21 公開日 2000-12-27 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 X-ray structure of simian immunodeficiency virus integrase containing the core and C-terminal domain (residues 50-293)--an initial glance of the viral DNA binding platform. J.Mol.Biol., 296, 2000
4R1F	Re-refined Human DNA topoisomerase IIa (ATPase and transducer domains) in complex with ADP and SO4 分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-alpha, GLYCEROL, ... 著者 Stanger, F.V, Schirmer, T. 登録日 2014-08-05 公開日 2014-09-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Structure of the N-Terminal Gyrase B Fragment in Complex with ADPPi Reveals Rigid-Body Motion Induced by ATP Hydrolysis Plos One, 9, 2014
5Z9F	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-03 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9L	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-03 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9Q	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-04 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
1R4E	Solution structure of the Complex Formed between a Left-Handed Wedge-Shaped Spirocyclic Molecule and Bulged DNA 分子名称: 5'-D(*CP*AP*CP*GP*CP*AP*GP*TP*TP*CP*GP*GP*AP*C)-3', 5'-D(*GP*TP*CP*CP*GP*AP*TP*GP*CP*GP*TP*G)-3', SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, ... 著者 Hwang, G.S, Jones, G.B, Goldberg, I.H. 登録日 2003-10-06 公開日 2004-04-27 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Stereochemical control of small molecule binding to bulged DNA: comparison of structures of spirocyclic enantiomer-bulged DNA complexes. Biochemistry, 43, 2004
2V3L	Orientational and dynamical heterogeneity of Rhodamine 6G terminally attached to a DNA helix 分子名称: 5'-D(*CP*AP*AP*AP*GP*CP*GP*CP*CP*AP *TP*TP*CP*GP*CP*CP*AP*TP*TP*C)-3', 5'-D(*GP*AP*AP*TP*GP*GP*CP*GP*AP*AP *TP*GP*GP*CP*GP*CP*TP*TP*TP*G)-3', RHODAMINE 6G 著者 Neubauer, H, Gaiko, N, Berger, S, Schaffer, J, Eggeling, C, Tuma, J, Verdier, L, Seidel, C.A.M, Griesinger, C, Volkmer, A. 登録日 2007-06-18 公開日 2007-10-09 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Orientational and Dynamical Heterogeneity of Rhodamine 6G Terminally Attached to a DNA Helix Revealed by NMR and Single-Molecule Fluorescence Spectroscopy. J.Am.Chem.Soc., 129, 2007
5Z4O	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, 4-phenoxyphenol, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-01-12 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9B	Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine 分子名称: (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-02 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9M	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1-benzofuran-2-carboxylic acid, DNA gyrase subunit B, SULFATE ION 著者 Huang, X, Zhou, H. 登録日 2018-02-03 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
7XFZ	CryoEM structure of type IV-A Csf-crRNAsp14-dsDNA ternary complex 分子名称: Csf1, Csf2, Csf3, ... 著者 Zhang, J.T, Cui, N, Huang, H.D, Jia, N. 登録日 2022-04-02 公開日 2023-08-09 最終更新日 2024-07-03 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
7XG2	CryoEM structure of type IV-A NTS-nicked dsDNA bound Csf-crRNA ternary complex 分子名称: Csf1, Csf2, Csf3, ... 著者 Zhang, J.T, Cui, N, Huang, H.D, Jia, N. 登録日 2022-04-02 公開日 2023-08-09 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment. Mol.Cell, 83, 2023
5Z4H	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-01-11 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
3WRS	Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication 分子名称: COBALT (II) ION, Non-capsid protein NS-1 著者 Tewary, S.K, Zhao, H, Tang, L. 登録日 2014-02-27 公開日 2015-01-21 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding. Virology, 476C, 2014
5Z9P	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, MAGNESIUM ION 著者 Huang, X, Zhou, H. 登録日 2018-02-04 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
1IEK	SOLUTION STRUCTURE OF THE DNA DUPLEX D(CCACCGGAAC).(GTTCCGGTGG) WITH A CHIRAL ALKYL-PHOSPHONATE MOIETY (DIAESTEREOISOMER S) 分子名称: 5'-D(*CP*CP*AP*CP*CP*(OCT)GP*GP*AP*AP*C)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3', N-OCTANE 著者 Soliva, R, Monaco, V, Gomez-Pinto, I, Meeuwenoord, N.J, van der Marel, G.A, van Boom, J.H, Gonzalez, C, Orozco, M. 登録日 2001-04-10 公開日 2001-07-25 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety. Nucleic Acids Res., 29, 2001
3WRQ	Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication 分子名称: NICKEL (II) ION, Non-capsid protein NS-1 著者 Tewary, S.K, Zhao, H, Tang, L. 登録日 2014-02-27 公開日 2015-01-21 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding. Virology, 476C, 2014
1N8C	Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex 分子名称: (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*AP*CP*GP*AP*GP*G)-3' 著者 Volk, D.E, Thiviyanathan, V, Rice, J.S, Luxon, B.A, Shah, J.H, Yagi, H, Sayer, J.M, Yeh, H.J.C, Jerina, D.M, Gorenstein, D.G. 登録日 2002-11-20 公開日 2003-02-14 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex Biochemistry, 42, 2003
1IEY	SOLUTION STRUCTURE OF THE DNA DUPLEX D(CCACCGGAAC).(GTTCCGGTGG) WITH A CHIRAL ALKYL-PHOSPHONATE MOIETY (DIAESTEREOISOMER R) 分子名称: 5'-D(*GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3', 5'-D(P*CP*CP*AP*CP*CP*(OCT)GP*GP*AP*AP*C)-3', N-OCTANE 著者 Soliva, R, Monaco, V, Gomez-Pinto, I, Meeuwenoord, N.J, van der Marel, G.A, van Boom, J.H, Gonzalez, C, Orozco, M. 登録日 2001-04-11 公開日 2001-07-25 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety. Nucleic Acids Res., 29, 2001
1ZFG	CTC Duplex B-DNA 分子名称: 5'-D(*CP*CP*GP*AP*GP*CP*TP*CP*GP*G)-3' 著者 Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. 登録日 2005-04-20 公開日 2005-05-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
1N4E	Crystal Structure of a DNA Decamer Containing a Thymine-dimer 分子名称: 5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3' 著者 Park, H, Zhang, K, Ren, Y, Nadji, S, Sinha, N, Taylor, J.-S, Kang, C. 登録日 2002-10-30 公開日 2003-02-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of a DNA decamer containing a cis-syn thymine dimer. Proc.Natl.Acad.Sci.USA, 99, 2002

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