PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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4ZY0	X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q 分子名称: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-21 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
8CH5	Cryo-EM structure of the fd bacteriophage capsid major coat protein pVIII 分子名称: Major capsid protein pVIII 著者 Boehning, J, Bharat, T.A.M. 登録日 2023-02-07 公開日 2023-12-20 最終更新日 2024-01-10 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Biophysical basis of filamentous phage tactoid-mediated antibiotic tolerance in P. aeruginosa. Nat Commun, 14, 2023
4ZX6	X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
4ZY2	X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o 分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-21 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
4PF7	Crystal structure of insulin degrading enzyme complexed with inhibitor 分子名称: (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION 著者 Wang, Y, Guo, S. 登録日 2014-04-28 公開日 2015-06-17 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem., 290, 2015
6EF0	Yeast 26S proteasome bound to ubiquitinated substrate (1D* motor state) 分子名称: 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, 26S proteasome regulatory subunit 6B homolog, ... 著者 de la Pena, A.H, Goodall, E.A, Gates, S.N, Lander, G.C, Martin, A. 登録日 2018-08-15 公開日 2018-10-17 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (4.43 Å) 主引用文献 Substrate-engaged 26Sproteasome structures reveal mechanisms for ATP-hydrolysis-driven translocation. Science, 362, 2018
4ZX9	X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b 分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
8BZZ	Crystal structure of carbonic anhydrase 2 4-(dimethylamino)-N-nitrobenzenesulfonamide 分子名称: 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-12-15 公開日 2023-12-27 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Diversely N -substituted benzenesulfonamides dissimilarly bind to human carbonic anhydrases: crystallographic investigations of N -nitrosulfonamides. J Enzyme Inhib Med Chem, 38, 2023
5A2R	A New Crystal Structure of the Drosophila melanogaster Angiotensin Converting Enzyme Homologue AnCE. 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... 著者 Harrison, C, Acharya, K.R. 登録日 2015-05-22 公開日 2015-08-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A New High-Resolution Crystal Structure of the Drosophila Melanogaster Angiotensin Converting Enzyme Homologue, Ance. FEBS Open Bio, 5, 2015
6E5T	Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) 分子名称: (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 著者 Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. 登録日 2018-07-23 公開日 2019-02-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
5AH2	The sliding clamp of Mycobacterium smegmatis in complex with a natural product. 分子名称: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION 著者 Lukat, P, Kling, A, Heinz, D.W, Mueller, R. 登録日 2015-02-04 公開日 2015-06-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.129 Å) 主引用文献 Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
4PPC	ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE) 分子名称: N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK 著者 Eigenbrot, C, Shia, S. 登録日 2014-02-26 公開日 2014-06-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
6E5F	Crystal structure of LpqN involved in cell envelope biogenesis of Mycobacterium tuberculosis 分子名称: Lipid binding protein LpqN, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside 著者 Rajavel, M, Su, C.C, Yu, E.W. 登録日 2018-07-20 公開日 2019-07-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Structural and functional evidence that lipoprotein LpqN supports cell envelope biogenesis inMycobacterium tuberculosis. J.Biol.Chem., 294, 2019
7YPZ	Zafirlukast in complex with CRM1-Ran-RanBP1 分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... 著者 Sun, Q, Lei, Y. 登録日 2022-08-05 公開日 2023-08-16 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach. J.Med.Chem., 66, 2023
5AGT	Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP 分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... 著者 Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. 登録日 2015-02-03 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
4PPB	ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE) 分子名称: N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK 著者 Eigenbrot, C, Shia, S. 登録日 2014-02-26 公開日 2014-06-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.82 Å) 主引用文献 Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
4PRJ	Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide) 分子名称: Aurora kinase A, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide 著者 Ultsch, M, Eigenbrot, C. 登録日 2014-03-05 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
6EKN	Crystal structure of MMP12 in complex with inhibitor BE7. 分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. 登録日 2017-09-26 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
5A97	Hazara virus nucleocapsid protain 分子名称: NUCLEOCAPSID PROTEIN 著者 Surtees, R, Ariza, A, Hewson, R, Barr, J.N, Edwards, T.A. 登録日 2015-07-17 公開日 2016-01-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The Crystal Structure of the Hazara Virus Nucleocapsid Protein. Bmc Struct.Biol., 15, 2015
4PQN	ITK kinase domain with compound GNE-9822 分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK 著者 McEwan, P.A, Barker, J.J, Eigenbrot, C. 登録日 2014-03-03 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
4PPA	ITK kinase domain with compound 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE) 分子名称: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK 著者 Eigenbrot, C, Shia, S. 登録日 2014-02-26 公開日 2014-06-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
7ZK1	Crystal structure of cystinosin from Arabidopsis thaliana bound to sybody and nanobody 分子名称: Cystinosin homolog, Llama derived nanobody, Synthetic nanobody (Sybody) 著者 Loebel, M, Newstead, S, Omari, K.E. 登録日 2022-04-12 公開日 2022-08-31 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structural basis for proton coupled cystine transport by cystinosin. Nat Commun, 13, 2022
7ZKZ	Crystal structure of cystinosin from Arabidopsis thaliana bound to two nanobodies 分子名称: Cystinosin homolog, Llama nanobody, nanobody 著者 Loebel, M, Newstead, S. 登録日 2022-04-13 公開日 2022-08-31 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.329 Å) 主引用文献 Structural basis for proton coupled cystine transport by cystinosin. Nat Commun, 13, 2022
7ZKW	Crystal structure of cystinosin from Arabidopsis thaliana in complex with Cystine and sybody 分子名称: Cystinosin homolog, L-cystine, sybody 著者 Parker, J.L, Loebel, M, Newstead, S. 登録日 2022-04-13 公開日 2022-08-31 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.372 Å) 主引用文献 Structural basis for proton coupled cystine transport by cystinosin. Nat Commun, 13, 2022
8A46	Crystal structure of the human Kelch domain of Keap1 in complex with compound S217879 分子名称: 2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid, Kelch-like ECH-associated protein 1 著者 Weber, C, Vuillard, L, Delerive, P, Miallau, L. 登録日 2022-06-10 公開日 2022-07-13 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.323 Å) 主引用文献 Selective disruption of NRF2-KEAP1 interaction leads to NASH resolution and reduction of liver fibrosis in mice. JHEP Rep, 5, 2023

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