4W63
 
 | | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR | | 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, Acetylcholinesterase, ... | | 著者 | Pesaresi, A, Samez, S, Lamba, D. | | 登録日 | 2014-08-20 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
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4DVS
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-557 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide, ... | | 著者 | Kwon, Y.D, Kwong, P.D. | | 登録日 | 2012-02-23 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site.
Plos One, 9, 2014
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6O97
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with propylamycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.75A resolution | | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Matsushita, T, Sati, G.C, Kondasinghe, N, Pirrone, M.G, Kato, T, Waduge, P, Kumar, H.S, Sanchon, A.C, Dobosz-Bartoszek, M, Shcherbakov, D, Juhas, M, Hobbie, S.N, Schrepfer, T, Chow, C.S, Polikanov, Y.S, Schacht, J, Vasella, A, Bottger, E.C, Crich, D. | | 登録日 | 2019-03-13 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Design, Multigram Synthesis, and in Vitro and in Vivo Evaluation of Propylamycin: A Semisynthetic 4,5-Deoxystreptamine Class Aminoglycoside for the Treatment of Drug-Resistant Enterobacteriaceae and Other Gram-Negative Pathogens.
J. Am. Chem. Soc., 141, 2019
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4DVT
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AS-II-37 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide, ... | | 著者 | Kwon, Y.D, Kwong, P.D. | | 登録日 | 2012-02-23 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site.
Plos One, 9, 2014
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3KAI
 | | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | | 分子名称: | (2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | 著者 | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | | 登録日 | 2009-10-19 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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6ODG
 | | SVQIVY, Crystal Structure of a tau protein fragment | | 分子名称: | Microtubule-associated protein tau | | 著者 | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Seidler, P.M. | | 登録日 | 2019-03-26 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples.
J.Biol.Chem., 294, 2019
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7MDW
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7M22
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6OAN
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7M30
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6ZK5
 | | Plant nucleoside hydrolase - ZmNRh3 enzyme in complex with forodesine | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ... | | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | | 登録日 | 2020-06-29 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
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4DKO
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with TS-II-224 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | | 著者 | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | 登録日 | 2012-02-03 | | 公開日 | 2012-05-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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4URT
 | | The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R. | | 登録日 | 2014-07-02 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
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7MTD
 | | Structure of aged SARS-CoV-2 S2P spike at pH 7.4 | | 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 glycoprotein | | 著者 | Tsybovsky, Y, Olia, A.S, Kwong, P.D. | | 登録日 | 2021-05-13 | | 公開日 | 2021-09-15 | | 最終更新日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
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7MTC
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7MTE
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3JCA
 | | Core model of the Mouse Mammary Tumor Virus intasome | | 分子名称: | 5'-D(*AP*AP*TP*GP*CP*CP*GP*CP*AP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*CP*TP*G)-3', 5'-D(*CP*AP*GP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*TP*GP*CP*GP*GP*CP*A)-3', Integrase, ... | | 著者 | Lyumkis, D.L, Ballandras-Colas, A, Brown, M, Cook, N.J, Dewdney, T.G, Demeler, B, Cherepanov, P, Engelman, A.N. | | 登録日 | 2015-11-24 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
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7A2B
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q207D | | 分子名称: | MAGNESIUM ION, R-specific alcohol dehydrogenase | | 著者 | Bischoff, D, Hermann, J, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | 登録日 | 2020-08-17 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | | 主引用文献 | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
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3JD1
 | | Glutamate dehydrogenase in complex with NADH, closed conformation | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial | | 著者 | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | 登録日 | 2016-03-28 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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4DB4
 | | Mss116p DEAD-box helicase domain 2 bound to a chimaeric RNA-DNA duplex | | 分子名称: | 5'-R(*GP*GP*GP*CP*GP*GP*G)-D(P*CP*CP*CP*GP*CP*CP*C)-3', ATP-dependent RNA helicase MSS116, mitochondrial | | 著者 | Mallam, A.L, Del Campo, M, Gilman, B.D, Sidote, D.J, Lambowitz, A. | | 登録日 | 2012-01-13 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.599 Å) | | 主引用文献 | Structural basis for RNA-duplex recognition and unwinding by the DEAD-box helicase Mss116p.
Nature, 490, 2012
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6OKC
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | 著者 | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | 登録日 | 2019-04-12 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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6OS0
 | | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to angiotensin II | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen, CHLORIDE ION, ... | | 著者 | Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C. | | 登録日 | 2019-05-01 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR.
Science, 367, 2020
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3K7M
 | | Crystal structure of 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans | | 分子名称: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Bourenkov, G.P, Kachalova, G.S, Bartunik, H.D. | | 登録日 | 2009-10-13 | | 公開日 | 2010-01-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure Analysis of Free and Substrate-Bound 6-Hydroxy-l-Nicotine Oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
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3K9M
 | | Cathepsin B in complex with stefin A | | 分子名称: | Cathepsin B, Cystatin-A | | 著者 | Renko, M, Turk, D. | | 登録日 | 2009-10-16 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Stefin A displaces the occluding loop of cathepsin B only by as much as required to bind to the active site cleft
Febs J., 277, 2010
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7AAP
 | | Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP | | 分子名称: | MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ... | | 著者 | Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J. | | 登録日 | 2020-09-04 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.
Proc.Natl.Acad.Sci.USA, 118, 2021
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