7N64
 
 | | SARS-CoV-2 Spike (2P) in complex with G32R7 Fab (RBD and NTD local reconstruction) | | 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, G32R7 Fab heavy chain, ... | | 著者 | Windsor, I.W, Jenni, S, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | | 登録日 | 2021-06-07 | | 公開日 | 2021-08-04 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike.
Biorxiv, 2021
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7N62
 | | SARS-CoV-2 Spike (2P) in complex with C12C9 Fab (NTD local reconstruction) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C12C9 Fab heavy chain, C12C9 Fab light chain, ... | | 著者 | Windsor, I.W, Jenni, S, Bajic, G, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | | 登録日 | 2021-06-07 | | 公開日 | 2021-08-04 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike.
Biorxiv, 2021
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3DLG
 | | Crystal structure of hiv-1 reverse transcriptase in complex with GW564511. | | 分子名称: | N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, P51 RT, PHOSPHATE ION, ... | | 著者 | Ren, J, Chamberlain, P.P, Stammers, D.K. | | 登録日 | 2008-06-27 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
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3DOL
 | | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with GW695634. | | 分子名称: | N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Chamberlain, P.P, Ren, J, Stammers, D.K. | | 登録日 | 2008-07-04 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
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3DOK
 | | Crystal structure of K103N mutant HIV-1 reverse transcriptase in complex with GW678248. | | 分子名称: | 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Chamberlain, P.P, Ren, J, Stammers, D.K. | | 登録日 | 2008-07-04 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
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3DMJ
 | | CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511. | | 分子名称: | N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Ren, J, Chamberlain, P.P, Stammers, D.K. | | 登録日 | 2008-07-01 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
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3DLE
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3DM2
 | | Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with GW564511. | | 分子名称: | N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Ren, J, Chamberlain, P.P, Stammers, D.K. | | 登録日 | 2008-06-30 | | 公開日 | 2008-08-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
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2N46
 | | EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data | | 分子名称: | GTPase HRas | | 著者 | Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2015-06-17 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
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2N42
 | | EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data | | 分子名称: | GTPase HRas | | 著者 | Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2015-06-16 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
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2QMV
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8RRY
 | | Crystal structure of copper-loaded SmAA10 | | 分子名称: | CBP21, CITRIC ACID, COPPER (II) ION, ... | | 著者 | Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C. | | 登録日 | 2024-01-24 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.45561326 Å) | | 主引用文献 | Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens.
Inorg.Chem., 63, 2024
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7SWO
 | | C98C7 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction) | | 分子名称: | C98C7 Fab heavy chain, C98C7 Fab light chain, Spike protein S1 | | 著者 | Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C. | | 登録日 | 2021-11-20 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
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7SWP
 | | G32Q4 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction) | | 分子名称: | G32Q4 Fab heavy chain, G32Q4 Fab light chain, Spike protein S1 | | 著者 | Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C. | | 登録日 | 2021-11-20 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
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7SWN
 | | G32A4 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction) | | 分子名称: | G32A4 Fab heavy chain, G32A4 Fab light chain, Spike protein S1 | | 著者 | Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C. | | 登録日 | 2021-11-20 | | 公開日 | 2022-04-27 | | 最終更新日 | 2022-11-09 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
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6ZBA
 | | Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | | 分子名称: | 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... | | 著者 | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | | 登録日 | 2020-06-08 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis.
J.Med.Chem., 63, 2020
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3L5B
 | | Structure of BACE Bound to SCH713601 | | 分子名称: | (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3KKN
 | | Crystal structure of H-Ras T35S in complex with GppNHp | | 分子名称: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | | 登録日 | 2009-11-06 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
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3L58
 | | Structure of BACE Bound to SCH589432 | | 分子名称: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3LPI
 | | Structure of BACE Bound to SCH745132 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | 著者 | Strickland, C, Cumming, J. | | 登録日 | 2010-02-05 | | 公開日 | 2010-04-14 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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3L5E
 | | Structure of BACE Bound to SCH736062 | | 分子名称: | (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3LPK
 | | Structure of BACE Bound to SCH747123 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide | | 著者 | Strickland, C, Cumming, J. | | 登録日 | 2010-02-05 | | 公開日 | 2010-04-14 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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7SBQ
 | | One RBD-up 1 of pre-fusion SARS-CoV-2 Kappa variant spike protein | | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | | 登録日 | 2021-09-25 | | 公開日 | 2021-11-03 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
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7SBP
 | | Closed state of pre-fusion SARS-CoV-2 Kappa variant spike protein | | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | | 登録日 | 2021-09-25 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
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7SBK
 | | Closed state of pre-fusion SARS-CoV-2 Delta variant spike protein | | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | | 登録日 | 2021-09-25 | | 公開日 | 2021-11-03 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
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