7WQI
 
 | | Crystal structure of SARS coronavirus main protease in complex with PF07304814 | | 分子名称: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | | 登録日 | 2022-01-25 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Crystal structure of SARS coronavirus main protease in complex with PF07304814
To Be Published
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2OIG
 | | Crystal structure of RS21-C6 core segment and dm5CTP complex | | 分子名称: | 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), RS21-C6 | | 著者 | Wu, B, Liu, Y, Zhao, Q, Liao, S, Zhang, J, Bartlam, M, Chen, W, Rao, Z. | | 登録日 | 2007-01-11 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Crystal Structure of RS21-C6, Involved in Nucleoside Triphosphate Pyrophosphohydrolysis
J.Mol.Biol., 367, 2007
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2OIE
 | | Crystal structure of RS21-C6 core segment RSCUT | | 分子名称: | RS21-C6, SULFATE ION | | 著者 | Wu, B, Liu, Y, Zhao, Q, Liao, S, Zhang, J, Bartlam, M, Chen, W, Rao, Z. | | 登録日 | 2007-01-10 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of RS21-C6, Involved in Nucleoside Triphosphate Pyrophosphohydrolysis
J.Mol.Biol., 367, 2007
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4H58
 | | BRAF in complex with compound 3 | | 分子名称: | CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf | | 著者 | Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B. | | 登録日 | 2012-09-18 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
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4GT3
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5Z3N
 | | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(5FC)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | | 著者 | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | | 登録日 | 2018-01-08 | | 公開日 | 2018-11-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
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4K47
 | | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct | | 分子名称: | Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate | | 著者 | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | | 登録日 | 2013-04-12 | | 公開日 | 2013-09-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
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7Y72
 | | SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 (focused refinement on Fab-RBD interface) | | 分子名称: | Fab E7 heavy chain, Fab E7 light chain, Spike glycoprotein | | 著者 | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | | 登録日 | 2022-06-21 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (4.03 Å) | | 主引用文献 | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
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7Y71
 | | SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 | | 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, Fab E7 heavy chain, ... | | 著者 | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | | 登録日 | 2022-06-21 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
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7XRY
 | | Crystal structure of MERS main protease in complex with inhibitor YH-53 | | 分子名称: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | 登録日 | 2022-05-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7XRS
 | | Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53 | | 分子名称: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a | | 著者 | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | | 登録日 | 2022-05-11 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7YGQ
 | | Crystal structure of SARS main protease in complex with inhibitor YH-53 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | | 登録日 | 2022-07-12 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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4K48
 | | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain | | 分子名称: | Leucine--tRNA ligase | | 著者 | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | | 登録日 | 2013-04-12 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
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3LR2
 | | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Major ampullate spidroin 1 | | 著者 | Askarieh, G, Hedhammar, H, Nordling, K, Johansson, J, Knight, S.D, Rising, A, Casals, C, Saenz, A. | | 登録日 | 2010-02-10 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
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3LR6
 | | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | | 分子名称: | Major ampullate spidroin 1, TRIETHYLENE GLYCOL | | 著者 | Askarieh, G, Hedhammar, H, Nordling, K, Saenz, A, Casals, C, Rising, A, Johansson, J, Knight, S.D. | | 登録日 | 2010-02-10 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
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3LR8
 | | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Major ampullate spidroin 1, ... | | 著者 | Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D. | | 登録日 | 2010-02-10 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
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3V01
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | | 登録日 | 2011-12-07 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.705 Å) | | 主引用文献 | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
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3V04
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | 分子名称: | 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | | 登録日 | 2011-12-07 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
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5X8D
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5X8K
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5X8B
 | | Crystal structure of ATP-TMP and ADP bound thymidylate kinase from Thermus thermophilus HB8 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | 登録日 | 2017-03-01 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
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5X8V
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5X98
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5X86
 | | Crystal structure of TMP bound thymidylate kinase from thermus thermophilus HB8 | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | | 著者 | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | 登録日 | 2017-03-01 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
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3QYC
 | | Structure of a dimeric anti-HER2 single domain antibody | | 分子名称: | VH domain of IgG molecule | | 著者 | Baral, T.N, Chao, S, Li, S, Tanha, J, Arbabai, M, Wang, S, Zhang, J. | | 登録日 | 2011-03-03 | | 公開日 | 2012-02-08 | | 最終更新日 | 2014-02-05 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of a Human Single Domain Antibody Dimer Formed through V(H)-V(H) Non-Covalent Interactions.
Plos One, 7, 2012
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