PDB: 245396 件ウェブページステータス検索Chemie searchBIRD

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7BIT	Inhibitor of MDM2-p53 Interaction 分子名称: (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Williams, P.A. 登録日 2021-01-13 公開日 2021-04-07 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
7BJG	Crystal structure of atypical Tm1 (Tm1-I/C), residues 262-363 分子名称: SD21996p 著者 Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J. 登録日 2021-01-14 公開日 2021-05-26 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex. Genes Dev., 35, 2021
3IH6	Crystal structure of putative zinc protease from Bordetella pertussis Tohama I 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Putative zinc protease 著者 Chang, C, Chhor, G, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2009-07-29 公開日 2009-08-18 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of putative zinc protease from Bordetella pertussis Tohama I To be Published
8V1U	Human DNA Ligase I F872A bound to adenylated nicked DNA with a 5' terminal ribonucleotide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... 著者 Tumbale, P.P, Williams, R.S. 登録日 2023-11-21 公開日 2025-07-02 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Human DNA Ligase I F872A bound to adenylated nicked DNA with a 5' terminal ribonucleotide To Be Published
6Z9M	Pseudoatomic model of the pre-fusion conformation of glycoprotein B of Herpes simplex virus 1 分子名称: Envelope glycoprotein B 著者 Vollmer, B, Prazak, V, Vasishtan, D, Jefferys, E.E, Hernandez-Duran, A, Vallbracht, M, Klupp, B, Mettenleiter, T.C, Backovic, M, Rey, F.A, Topf, M, Gruenewald, K. 登録日 2020-06-04 公開日 2020-10-07 最終更新日 2024-11-13 実験手法 ELECTRON MICROSCOPY (9.1 Å) 主引用文献 The prefusion structure of herpes simplex virus glycoprotein B. Sci Adv, 6, 2020
5YA2	Crystal structure of LsrK-HPr complex with ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, Autoinducer-2 kinase, HEXANE-1,6-DIOL, ... 著者 Ryu, K.S, Ha, J.H. 登録日 2017-08-30 公開日 2018-07-11 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.701 Å) 主引用文献 Evidence of link between quorum sensing and sugar metabolism inEscherichia colirevealed via cocrystal structures of LsrK and HPr Sci Adv, 4, 2018
6ZA9	Fo domain of Ovine ATP synthase 分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit C1, mitochondrial, ... 著者 Pinke, G, Zhou, L, Sazanov, L.A. 登録日 2020-06-05 公開日 2020-09-23 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (3.76 Å) 主引用文献 Cryo-EM structure of the entire mammalian F-type ATP synthase. Nat.Struct.Mol.Biol., 27, 2020
4R4C	Structure of RPA70N in complex with 5-(4-((4-(5-carboxyfuran-2-yl)-2-chlorobenzamido)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid 分子名称: 5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit 著者 Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. 登録日 2014-08-19 公開日 2014-11-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
6UAP	Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound 分子名称: (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-09-11 公開日 2019-10-30 最終更新日 2025-04-02 実験手法 X-RAY DIFFRACTION (2.745 Å) 主引用文献 Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound To be Published
6B8J	Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor 分子名称: CHIR99021, GLYCEROL, Glycogen synthase kinase-3 beta, ... 著者 Bussiere, D.E. 登録日 2017-10-08 公開日 2017-11-08 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.595 Å) 主引用文献 Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3. J. Med. Chem., 60, 2017
5E8T	TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) 分子名称: GLYCEROL, TGF-beta receptor type-1 著者 Sheriff, S. 登録日 2015-10-14 公開日 2016-05-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity. Acta Crystallogr D Struct Biol, 72, 2016
6GI4	Structure of Lytic Transglycosylase MltE mutant S75A from E.coli 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-type membrane-bound lytic murein transglycosylase A 著者 Batuecas, M.T, Hermoso, J.A. 登録日 2018-05-09 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli. Biochemistry, 57, 2018
7BIY	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175 分子名称: 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-01-13 公開日 2021-06-16 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7ZPC	CDK2 in complex 9K-DOS 分子名称: Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide 著者 Watt, J.E, Martin, M.P, Noble, M.E.N. 登録日 2022-04-27 公開日 2023-02-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity. J.Med.Chem., 65, 2022
8WRZ	Cry-EM structure of cannabinoid receptor-beta-arrestin-1 complex 分子名称: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ... 著者 Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J. 登録日 2023-10-16 公開日 2024-02-28 最終更新日 2025-06-18 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex. Protein Cell, 15, 2024
6QEB	Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Vasa, S.K. 登録日 2019-01-07 公開日 2019-02-06 最終更新日 2024-06-19 実験手法 SOLID-STATE NMR 主引用文献 Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration. Angew.Chem.Int.Ed.Engl., 58, 2019
7ROS	Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr 分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... 著者 Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. 登録日 2021-08-02 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy. Science, 376, 2022
8VY8	Recombinant alpha bungarotoxin complexed with HAP peptide 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-bungarotoxin isoform V31, HAP peptide 著者 Xu, J, Lei, X, Chen, L. 登録日 2024-02-07 公開日 2024-03-06 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Scalable production of recombinant three-finger proteins: from inclusion bodies to high quality molecular probes. Microb Cell Fact, 23, 2024
7ROU	Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr 分子名称: SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ... 著者 Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. 登録日 2021-08-02 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy. Science, 376, 2022
7ROT	Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr 分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... 著者 Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. 登録日 2021-08-02 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy. Science, 376, 2022
5DUI	Identification of a new FoxO1 binding site that precludes CREB binding at the glucose-6-phosphatase catalytic subunit gene promoter 分子名称: DNA (5'-D(*AP*TP*GP*AP*TP*TP*TP*AP*CP*GP*TP*AP*AP*AP*AP*TP*AP*GP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*CP*TP*AP*TP*TP*TP*TP*AP*CP*GP*TP*AP*AP*AP*TP*CP*A)-3'), Forkhead box protein O1 著者 Singh, P, Endrizzi, J.A, Chi, Y.-I. 登録日 2015-09-18 公開日 2016-09-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.306 Å) 主引用文献 Crystal structures reveal a new and novel FoxO1 binding site within the human glucose-6-phosphatase catalytic subunit 1 gene promoter. J. Struct. Biol., 198, 2017
6YUO	Capsule O-acetyltransferase of Neisseria meningitidis serogroup A in complex with caged Gadolinium 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. 登録日 2020-04-27 公開日 2020-08-19 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
8TQV	Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 分子名称: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION 著者 Krieger, I.V, Sacchettini, J.C. 登録日 2023-08-08 公開日 2024-04-24 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
5NQR	Potent inhibitors of NUDT5 silence hormone signaling in breast cancer 分子名称: 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase 著者 Carter, M, Stenmark, P. 登録日 2017-04-21 公開日 2018-01-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
5HMP	Myosin Vc pre-powerstroke state 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... 著者 Ropars, V, Pylypenko, O, Sweeney, H.L, Houdusse, A. 登録日 2016-01-16 公開日 2016-09-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.397 Å) 主引用文献 The myosin X motor is optimized for movement on actin bundles. Nat Commun, 7, 2016

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