PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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6BFU	Glycan shield and fusion activation of a deltacoronavirus spike glycoprotein fine-tuned for enteric infections 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, Spike protein, ... 著者 Xiong, X, Tortorici, M.A, Snijder, S, Yoshioka, C, Walls, A.C, Li, W, Seattle Structural Genomics Center for Infectious Disease (SSGCID), McGuire, A.T, Rey, F.A, Bosch, B.J, Veesler, D. 登録日 2017-10-27 公開日 2017-11-22 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Glycan Shield and Fusion Activation of a Deltacoronavirus Spike Glycoprotein Fine-Tuned for Enteric Infections. J. Virol., 92, 2018
8WFY	The Crystal Structure of SHP2 from Biortus. 分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 著者 Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. 登録日 2023-09-20 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The Crystal Structure of SHP2 from Biortus. To Be Published
2LEE	Unique structural features of interconverting monomeric and dimeric G-quadruplexes adopted by a sequence from intron of N-myc gene 分子名称: DNA (5'-D(*TP*AP*GP*GP*GP*CP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*A)-3') 著者 Trajkovski, M, Plavec, J, Webba da Silva, M. 登録日 2011-06-15 公開日 2012-03-14 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Unique Structural Features of Interconverting Monomeric and Dimeric G-Quadruplexes Adopted by a Sequence from the Intron of the N-myc Gene. J.Am.Chem.Soc., 134, 2012
7ZUA	Crystal Structure of Ljungan virus 4 2A2 protein I222 crystal form 分子名称: ACETATE ION, Protein 2A 著者 von Castelmur, E, Perrakis, A. 登録日 2022-05-11 公開日 2023-05-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structural plasticity of Parechovirus family H-box 2A proteins To Be Published
6PMF	Crystal Structure of EcDsbA in complex with aniline 15 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(phenylamino)-1-benzofuran-3-yl]acetic acid 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2019-07-01 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
8WE6	Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution 分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Gao, S, Yao, X, Yan, N. 登録日 2023-09-17 公開日 2023-12-06 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
5KGW	HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid 分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION 著者 Feng, L, Kobe, M, Kvaratskhelia, M. 登録日 2016-06-13 公開日 2016-10-19 最終更新日 2018-03-07 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
8WEA	Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution 分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Gao, S, Yao, X, Fan, X, Yan, N. 登録日 2023-09-17 公開日 2023-12-06 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
8WE8	Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution 分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Gao, S, Yao, X, Yan, N. 登録日 2023-09-17 公開日 2023-12-06 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
8WE9	Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution 分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Gao, S, Yao, X, Fan, X, Yan, N. 登録日 2023-09-17 公開日 2023-12-06 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
6P9T	E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8 分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... 著者 Ma, X, Shia, S, Ornelas, E. 登録日 2019-06-10 公開日 2020-03-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis. J.Am.Chem.Soc., 142, 2020
6PRB	S. aureus dihydrofolate reductase co-crystallized with cyclopropyl-dimethyoxydihydropthalazine inhibitor and NADP(H) 分子名称: (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, (2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, Dihydrofolate reductase, ... 著者 Bourne, C.R, Thomas, L.M. 登録日 2019-07-10 公開日 2020-06-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase. Eur.J.Med.Chem., 200, 2020
6EWH	Oreochromis niloticus CEP120 second C2 domain (C2B) G307S mutant 分子名称: Centrosomal protein 120 著者 van Breugel, M, al-Jassar, C, Yu, M. 登録日 2017-11-04 公開日 2018-05-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Disease-Associated Mutations in CEP120 Destabilize the Protein and Impair Ciliogenesis. Cell Rep, 23, 2018
7ZPH	Crystal structure of Pizza6-TNK-RSH with Silicotungstic Acid (STA) polyoxometalate 分子名称: Keggin (STA), Pizza6-TNK-RSH 著者 Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D. 登録日 2022-04-27 公開日 2023-05-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Mutational study of a symmetry matched protein-polyoxometalate interface To be published
6PJ4	Time-resolved structural snapshot of proteolysis by GlpG inside the membrane 分子名称: Peptide aldehyde inhibitor, Rhomboid protease GlpG 著者 Urban, S, Cho, S. 登録日 2019-06-27 公開日 2019-10-02 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release. Nat.Struct.Mol.Biol., 26, 2019
8WE7	Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Gao, S, Yao, X, Yan, N. 登録日 2023-09-17 公開日 2023-12-06 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
5K6I	Crystal structure of prefusion-stabilized RSV F single-chain 9-10 DS-Cav1 A149C-Y458C, S46G-E92D-S215P-K465Q variant. 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ... 著者 Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D. 登録日 2016-05-24 公開日 2016-08-17 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.92 Å) 主引用文献 Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV. Nat.Struct.Mol.Biol., 23, 2016
5K7D	The structure of native pistol ribozyme, bound to Iridium 分子名称: DNA/RNA 11-MER, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... 著者 Ren, A, Patel, D. 登録日 2016-05-26 公開日 2016-07-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage. Nat.Chem.Biol., 12, 2016
6XZX	crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide 分子名称: 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION 著者 Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. 登録日 2020-02-05 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
6Y00	crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide 分子名称: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION 著者 Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. 登録日 2020-02-05 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
6EYB	Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation 分子名称: 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol, Heat shock protein HSP 90-alpha, SULFATE ION 著者 Musil, D, Lehmann, M, Buchstaller, H.-P. 登録日 2017-11-11 公開日 2018-05-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
6FFS	Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors 分子名称: 3C Protease, SULFATE ION, ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide 著者 Wiesmann, C, Farady, C. 登録日 2018-01-09 公開日 2018-02-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
6Y25	Streptavidin mutant S112R,K121E with a biotC4-1 cofactor - an artificial iron hydroxylase 分子名称: Streptavidin, biotC4-1 cofactor 著者 Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. 登録日 2020-02-14 公開日 2020-07-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology. J.Am.Chem.Soc., 142, 2020
6Y2K	Crystal structure of beta-galactosidase from the psychrophilic Marinomonas ef1 分子名称: CHLORIDE ION, GLYCEROL, beta-galactosidase 著者 Mangiagalli, M, Lapi, M, Maione, S, Orlando, M, Brocca, S, Pesce, A, Barbiroli, A, Pucciarelli, S, Camilloni, C, Lotti, M. 登録日 2020-02-16 公開日 2020-05-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The co-existence of cold activity and thermal stability in an Antarctic GH42 beta-galactosidase relies on its hexameric quaternary arrangement. Febs J., 288, 2021
6Y34	Streptavidin wildtype with a biotC5-1 cofactor - an artificial iron hydroxylase 分子名称: GLYCEROL, Streptavidin, biotC5-1 cofactor 著者 Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. 登録日 2020-02-17 公開日 2020-07-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.307 Å) 主引用文献 Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology. J.Am.Chem.Soc., 142, 2020

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