PDB: 20505 件ウェブページステータス検索Chemie searchBIRD

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6N7Q	Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to cyclised RON2 peptide 分子名称: Apical membrane antigen-1, RON2 peptide 著者 McGowan, S, Drinkwater, N. 登録日 2018-11-28 公開日 2019-01-30 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe. ChemMedChem, 14, 2019
6MKT	Photoactive Yellow Protein with 3-chlorotyrosine substituted at position 42 分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein 著者 Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. 登録日 2018-09-26 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B, 123, 2019
4DQO	Crystal Structure of PG16 Fab in Complex with V1V2 Region from HIV-1 strain ZM109 分子名称: 1FD6-V1V2 scaffold ZM109 HIV-1 strain, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG16 Fab Heavy Chain, ... 著者 Pancera, M, McLellan, J.S, Kwong, P.D. 登録日 2012-02-16 公開日 2013-03-06 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.438 Å) 主引用文献 Structural basis for diverse N-glycan recognition by HIV-1-neutralizing V1-V2-directed antibody PG16. Nat.Struct.Mol.Biol., 20, 2013
7BAD	Crystal structure of PAFB in complex with p-sulfonato-calix[8]arene and zinc 分子名称: Antifungal protein, PHOSPHATE ION, ZINC ION, ... 著者 Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. 登録日 2020-12-15 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
6MZ2	CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 7.9 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ... 著者 Pemberton, O.A, Chen, Y. 登録日 2018-11-03 公開日 2019-11-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (0.83 Å) 主引用文献 Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam. Proc.Natl.Acad.Sci.USA, 117, 2020
7BAF	Crystal structure of PAFB in complex with zinc 分子名称: ACETATE ION, Antifungal protein, ZINC ION 著者 Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. 登録日 2020-12-15 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.123 Å) 主引用文献 Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
7BAE	Crystal structure of PAFB 分子名称: Antifungal protein 著者 Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. 登録日 2020-12-15 公開日 2021-03-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
5J4P	DIY G-Quadruplexes: Solution structure of d(GGTTTGGTTTTGGTTTGG) in sodium 分子名称: DNA (5'-D(*GP*GP*TP*TP*TP*GP*GP*TP*TP*TP*TP*GP*GP*TP*TP*TP*GP*G)-3') 著者 Dvorkin, S.A, Webba da Silva, M. 登録日 2016-04-01 公開日 2017-06-14 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Encoding canonical DNA quadruplex structure. Sci Adv, 4, 2018
5J4W	DIY G-Quadruplexes: Solution structure of d(GGTTTGGTTTTGGTTGG) in sodium 分子名称: DNA (5'-D(*GP*GP*TP*TP*TP*GP*GP*TP*TP*TP*TP*GP*GP*TP*TP*GP*G)-3') 著者 Dvorkin, S.A, Webba da Silva, M. 登録日 2016-04-01 公開日 2017-04-12 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Encoding canonical DNA quadruplex structure. Sci Adv, 4, 2018
6MH9	The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A121I mutant to 2.02 Angstrom resolution 分子名称: Fatty Acid Kinase (Fak) B1 protein, PALMITIC ACID 著者 Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. 登録日 2018-09-17 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes. J.Biol.Chem., 298, 2022
6N9H	De novo designed homo-trimeric amantadine-binding protein 分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein 著者 Park, J, Baker, D. 登録日 2018-12-03 公開日 2019-12-18 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.039 Å) 主引用文献 De novo design of a homo-trimeric amantadine-binding protein. Elife, 8, 2019
5JQH	Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60 分子名称: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ... 著者 Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J. 登録日 2016-05-05 公開日 2016-07-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation. Nature, 535, 2016
5JYH	Solution Structure of Hge36: Scorpine-like Peptide from Hadrurus Gertschi 分子名称: Hge-scorpine 著者 Flores-Solis, D, Rodriguez De La Vega, R, del Rio-Portilla, F. 登録日 2016-05-13 公開日 2016-06-29 最終更新日 2020-01-15 実験手法 SOLUTION NMR 主引用文献 Solution structure and antiparasitic activity of scorpine-like peptides from Hoffmannihadrurus gertschi. Febs Lett., 590, 2016
5JP4	Crystal structure of S. pombe Dcp1 in complex with the decapping enhancer EDC 分子名称: Uncharacterized protein C18G6.09c, mRNA-decapping enzyme subunit 1 著者 Wurm, J.P, Sprangers, R. 登録日 2016-05-03 公開日 2016-06-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.043 Å) 主引用文献 The S. pombe mRNA decapping complex recruits cofactors and an Edc1-like activator through a single dynamic surface. Rna, 22, 2016
6MIL	Crystal structure of AF9 YEATS domain in complex with histone H3K9bu 分子名称: DI(HYDROXYETHYL)ETHER, Histone H3K9bu, MALONATE ION, ... 著者 Vann, K.R, Klein, B.J, Kutateladze, T.G. 登録日 2018-09-19 公開日 2018-11-14 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain. Nat Commun, 9, 2018
6MMD	Photoactive Yellow Protein with 3,5-dichlorotyrosine substituted at position 42 分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein 著者 Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. 登録日 2018-09-30 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.228 Å) 主引用文献 Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. J.Phys.Chem.B, 123, 2019
6MXF	MicroED structure of thiostrepton at 1.9 A resolution 分子名称: Thiostrepton 著者 Jones, C.G, Martynowycz, M.W, Hattne, J, Fulton, T, Stoltz, B.M, Rodriguez, J.A, Nelson, H.M, Gonen, T. 登録日 2018-10-30 公開日 2018-11-21 最終更新日 2023-11-15 実験手法 ELECTRON CRYSTALLOGRAPHY (1.91 Å) 主引用文献 The CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination. ACS Cent Sci, 4, 2018
6MZ1	CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ... 著者 Pemberton, O.A, Chen, Y. 登録日 2018-11-03 公開日 2019-11-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam. Proc.Natl.Acad.Sci.USA, 117, 2020
5KF4	Crystal structure of FN3 domain (Residues P368-P466) of Human collagen XX 分子名称: Collagen alpha-1(XX) chain 著者 Xie, Y, Cheng, Z, Zhao, J. 登録日 2016-06-12 公開日 2016-07-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of the second fibronectin type III (FN3) domain from human collagen alpha 1 type XX Acta Crystallogr F Struct Biol Commun, 73, 2017
4DDM	Pantothenate synthetase in complex with 2,1,3-benzothiadiazole-5-carboxylic acid 分子名称: 1,2-ETHANEDIOL, 2,1,3-benzothiadiazole-5-carboxylic acid, ETHANOL, ... 著者 Silvestre, H.L. 登録日 2012-01-18 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
6MNY	Crystal structure of mouse BTK kinase domain in complex with compound 9a 分子名称: 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase 著者 Han, S, Caspers, N, Ohren, J.O. 登録日 2018-10-03 公開日 2019-01-30 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning. ACS Med Chem Lett, 10, 2019
4CRG	Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 分子名称: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ... 著者 Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. 登録日 2014-02-26 公開日 2015-02-11 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
4CRE	Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 分子名称: 6-chloro-4-methyl-1H-quinolin-2-one, COAGULATION FACTOR XI, SULFATE ION 著者 Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. 登録日 2014-02-26 公開日 2015-02-11 最終更新日 2018-04-04 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
4CR5	Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 分子名称: 6-chloroquinolin-2(1H)-one, COAGULATION FACTOR XIA, SULFATE ION 著者 Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. 登録日 2014-02-25 公開日 2015-02-11 最終更新日 2018-04-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
4CR9	Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design 分子名称: 4-methylquinoline-2,6-diamine, COAGULATION FACTOR XI, SULFATE ION 著者 Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. 登録日 2014-02-26 公開日 2015-02-11 最終更新日 2018-04-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015

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