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

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4ZW3	X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b 分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-19 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8 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
6XHU	Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design 分子名称: 3C-like proteinase 著者 Kneller, D.W, Coates, L, Kovalevsky, A. 登録日 2020-06-19 公開日 2020-07-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design. Iucrj, 7, 2020
4PDE	Crystal structure of FdhD in complex with GDP 分子名称: GUANOSINE-5'-DIPHOSPHATE, Protein FdhD 著者 Arnoux, P, Walburger, A, Magalon, A, Pignol, D. 登録日 2014-04-18 公開日 2015-05-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Sulphur shuttling across a chaperone during molybdenum cofactor maturation. Nat Commun, 6, 2015
6XIW	Cryo-EM structure of the sodium leak channel NALCN-FAM155A complex 分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Kschonsak, M, Chua, H.C, Noland, C.L, Weidling, C, Clairfeuille, T, Bahlke, O.O, Ameen, A.O, Li, Z.R, Arthur, C.P, Ciferri, C, Pless, S.A, Payandeh, J. 登録日 2020-06-22 公開日 2020-07-29 最終更新日 2020-11-25 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Structure of the human sodium leak channel NALCN. Nature, 587, 2020
4ZX4	X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o 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 (1.9 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
6XYO	Multiple system atrophy Type I alpha-synuclein filament 分子名称: Alpha-synuclein 著者 Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M. 登録日 2020-01-30 公開日 2020-02-12 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Structures of alpha-synuclein filaments from multiple system atrophy. Nature, 585, 2020
6DVW	Cryo-EM structure of mouse TRPV3 分子名称: Transient receptor potential cation channel subfamily V member 3 著者 Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I. 登録日 2018-06-25 公開日 2018-09-05 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (4.3 Å) 主引用文献 Structure and gating mechanism of the transient receptor potential channel TRPV3. Nat. Struct. Mol. Biol., 25, 2018
8CRH	Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil 分子名称: 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Kirkman, T.J, Dias, M.V.B. 登録日 2023-03-08 公開日 2023-08-02 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris. Acta Crystallogr D Struct Biol, 79, 2023
4PK6	Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative 分子名称: Indoleamine 2,3-dioxygenase 1, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide, PROTOPORPHYRIN IX CONTAINING FE 著者 Kohno, T, Tojo, S, Ishii, T, Kamioka, S. 登録日 2014-05-13 公開日 2014-09-03 最終更新日 2017-10-04 実験手法 X-RAY DIFFRACTION (3.45 Å) 主引用文献 Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors. Acs Med.Chem.Lett., 5, 2014
4PLD	Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human TIF-2 分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 Musille, P.M, Ortlund, E.A. 登録日 2014-05-16 公開日 2015-12-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity. J.Biol.Chem., 291, 2016
7YXF	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Snee, M, Katariya, M, Levy, C, Leys, D. 登録日 2022-02-16 公開日 2023-03-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
4PP9	ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE) 分子名称: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, SULFATE ION, 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 (2.58 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
4ZX8	X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b 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 (2.7 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
6E06	Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant) 分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION 著者 Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. 登録日 2018-07-06 公開日 2018-10-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase. Acta Crystallogr D Struct Biol, 74, 2018
5AA5	Actinobacterial-type NiFe-hydrogenase from Ralstonia eutropha H16 at 2.85 Angstrom resolution 分子名称: IRON/SULFUR CLUSTER, MALONIC ACID, NIFE-HYDROGENASE LARGE SUBUNIT, ... 著者 Schaefer, C, Bommer, M, Hennig, S, Jeoung, J.H, Dobbek, H, Lenz, O. 登録日 2015-07-23 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.497 Å) 主引用文献 Structure of an Actinobacterial-Type [Nife]-Hydrogenase Reveals Insight Into O2-Tolerant H2 Oxidation. Structure, 24, 2016
6XXO	Crystal structure of NB8, a nanobody targeting prostate specific membrane antigen 分子名称: NB_8 著者 Shahar, A, Rosenfeld, L, Papo, N. 登録日 2020-01-28 公開日 2020-06-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer. J.Med.Chem., 63, 2020
6E0B	Plasmodium falciparum dihydroorotate dehydrogenase C276F mutant bound with triazolopyrimidine-based inhibitor DSM1 分子名称: 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... 著者 Tomchick, D.R, Phillips, M.A, Deng, X. 登録日 2018-07-06 公開日 2018-11-14 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.099 Å) 主引用文献 Identification and Mechanistic Understanding of Dihydroorotate Dehydrogenase Point Mutations in Plasmodium falciparum that Confer in Vitro Resistance to the Clinical Candidate DSM265. ACS Infect Dis, 5, 2019
6XXP	Crystal structure of NB37, a nanobody targeting prostate specific membrane antigen 分子名称: NB_37 著者 Shahar, A, Rosenfeld, L, Papo, N. 登録日 2020-01-28 公開日 2020-06-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer. J.Med.Chem., 63, 2020
4P6W	Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain 分子名称: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2 著者 He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E. 登録日 2014-03-25 公開日 2014-04-16 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.951 Å) 主引用文献 Structures and mechanism for the design of highly potent glucocorticoids. Cell Res., 24, 2014
5AFO	Long Polar Fimbriae adhesin LpfD from the adherent invasive E. coli strain LF82 分子名称: FIMBRIAE, GLYCEROL 著者 Coppens, F, Iyyathurai, J, Remaut, H. 登録日 2015-01-23 公開日 2015-08-05 最終更新日 2015-08-19 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Structural and Adhesive Properties of the Long Polar Fimbriae Protein Lpfd from Adherent-Invasive Escherichia Coli. Acta Crystallogr.,Sect.D, 71, 2015
4PA0	Omecamtiv Mercarbil binding site on the Human Beta-Cardiac Myosin Motor Domain 分子名称: GLYCEROL, Myosin-7,Green fluorescent protein, methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate 著者 Winkelmann, D.A, Miller, M.T, Stock, A.M. 登録日 2014-04-06 公開日 2015-07-08 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural basis for drug-induced allosteric changes to human beta-cardiac myosin motor activity. Nat Commun, 6, 2015
8BZS	The crystal structure of glycogen phosphorylase in complex with baicalein 分子名称: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Glycogen phosphorylase, muscle form, ... 著者 Koulas, S.M, Mathomes, R, Hayes, J.M, Leonidas, D.D. 登録日 2022-12-15 公開日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Multidisciplinary docking, kinetics and X-ray crystallography studies of baicalein acting as a glycogen phosphorylase inhibitor and determination of its' potential against glioblastoma in cellular models. Chem.Biol.Interact., 382, 2023
5AGS	Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP 分子名称: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE 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 2016-03-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.47 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
6XYP	Multiple system atrophy Type II-1 alpha-synuclein filament 分子名称: Alpha-synuclein 著者 Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M. 登録日 2020-01-30 公開日 2020-02-12 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (3.29 Å) 主引用文献 Structures of alpha-synuclein filaments from multiple system atrophy. Nature, 585, 2020
8C9X	human alpha7 nicotinic receptor in complex with the C4 nanobody 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, Nanobody C4, ... 著者 Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J. 登録日 2023-01-23 公開日 2023-10-11 実験手法 ELECTRON MICROSCOPY (2.3 Å) 主引用文献 An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies. Nat Commun, 14, 2023

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