4J2H
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![BU of 4j2h by Molmil](/molmil-images/mine/4j2h) | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) | 分子名称: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ... | 著者 | Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-02-04 | 公開日 | 2013-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) to be published
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7NM2
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![BU of 7nm2 by Molmil](/molmil-images/mine/7nm2) | Solution structure of MLKL executioner domain in complex with a fragment | 分子名称: | 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | 著者 | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | 登録日 | 2021-02-23 | 公開日 | 2021-09-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain. J.Med.Chem., 64, 2021
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7NM5
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![BU of 7nm5 by Molmil](/molmil-images/mine/7nm5) | Solution structure of MLKL executioner domain in complex with a fragment | 分子名称: | 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | 著者 | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | 登録日 | 2021-02-23 | 公開日 | 2021-09-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain. J.Med.Chem., 64, 2021
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7NM4
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![BU of 7nm4 by Molmil](/molmil-images/mine/7nm4) | Solution structure of MLKL executioner domain in complex with a fragment | 分子名称: | (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol, Mixed lineage kinase domain-like protein | 著者 | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | 登録日 | 2021-02-23 | 公開日 | 2021-09-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain. J.Med.Chem., 64, 2021
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4DYK
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![BU of 4dyk by Molmil](/molmil-images/mine/4dyk) | Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn | 分子名称: | AMIDOHYDROLASE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Raushel, F.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2012-02-29 | 公開日 | 2012-03-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn to be published
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4DZH
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![BU of 4dzh by Molmil](/molmil-images/mine/4dzh) | Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn | 分子名称: | AMIDOHYDROLASE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Raushel, F.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2012-03-01 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.552 Å) | 主引用文献 | Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn to be published
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6U2G
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![BU of 6u2g by Molmil](/molmil-images/mine/6u2g) | BRAF-MEK complex with AMP-PCP bound to BRAF | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. | 登録日 | 2019-08-19 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.886 Å) | 主引用文献 | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat.Struct.Mol.Biol., 27, 2020
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7SI1
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![BU of 7si1 by Molmil](/molmil-images/mine/7si1) | |
7SHV
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![BU of 7shv by Molmil](/molmil-images/mine/7shv) | Crystal structure of BRAF kinase domain bound to GDC0879 | 分子名称: | 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf | 著者 | Kung, J.E, Sudhamsu, J. | 登録日 | 2021-10-11 | 公開日 | 2022-10-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Clearing the Path to Rapid High-Quality Protein Purification To Be Published
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3JSD
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![BU of 3jsd by Molmil](/molmil-images/mine/3jsd) | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | 分子名称: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | 著者 | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | 登録日 | 2009-09-10 | 公開日 | 2010-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus To be Published
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7SD1
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![BU of 7sd1 by Molmil](/molmil-images/mine/7sd1) | |
7SD0
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![BU of 7sd0 by Molmil](/molmil-images/mine/7sd0) | Cryo-EM structure of the SHOC2:PP1C:MRAS complex | 分子名称: | Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Liau, N.P.D, Johnson, M.C, Hymowitz, S.G, Sudhamsu, J. | 登録日 | 2021-09-29 | 公開日 | 2022-04-20 | 最終更新日 | 2023-11-29 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Structural basis for SHOC2 modulation of RAS signalling. Nature, 609, 2022
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5A8Z
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![BU of 5a8z by Molmil](/molmil-images/mine/5a8z) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | 著者 | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | 登録日 | 2015-07-17 | 公開日 | 2016-08-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
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5C9G
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![BU of 5c9g by Molmil](/molmil-images/mine/5c9g) | Crystal Structure of a Putative enoyl-CoA hydratase/isomerase family protein from Hyphomonas neptunium | 分子名称: | D-MALATE, Enoyl-CoA hydratase/isomerase family protein, TETRAETHYLENE GLYCOL | 著者 | Szlachta, K, Cooper, D.R, Chapman, H.C, Cymbrowski, M.T, Stead, M, Hillerich, B.S, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, Hammonds, J, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2015-06-26 | 公開日 | 2015-10-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of a Putative enoyl-CoA hydratase/isomerase family protein from Hyphomonas neptunium to be published
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5A0C
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![BU of 5a0c by Molmil](/molmil-images/mine/5a0c) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A09
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![BU of 5a09 by Molmil](/molmil-images/mine/5a09) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A8X
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![BU of 5a8x by Molmil](/molmil-images/mine/5a8x) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | 登録日 | 2015-07-17 | 公開日 | 2016-08-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
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5A0A
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![BU of 5a0a by Molmil](/molmil-images/mine/5a0a) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A8Y
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![BU of 5a8y by Molmil](/molmil-images/mine/5a8y) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | 著者 | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | 登録日 | 2015-07-17 | 公開日 | 2016-08-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: In Vivo Efficacy of the Polar Pyrimidopyridazine Bay-8040 in a Pulmonary Arterial Hypertension Rat Model. Chemmedchem, 11, 2016
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5A0B
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![BU of 5a0b by Molmil](/molmil-images/mine/5a0b) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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7KFV
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![BU of 7kfv by Molmil](/molmil-images/mine/7kfv) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B12 Fab) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody C1A-B12 Fab, Spike glycoprotein, ... | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | 登録日 | 2020-10-15 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFY
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![BU of 7kfy by Molmil](/molmil-images/mine/7kfy) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-F10 Fab) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-F10 Fab, ... | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | 登録日 | 2020-10-15 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.157 Å) | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFW
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![BU of 7kfw by Molmil](/molmil-images/mine/7kfw) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B3 Fab) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of antibody C1A-B3 Fab, ... | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | 登録日 | 2020-10-15 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFX
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![BU of 7kfx by Molmil](/molmil-images/mine/7kfx) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 Fab) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-C2 Fab, ... | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | 登録日 | 2020-10-15 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.226 Å) | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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6U2H
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![BU of 6u2h by Molmil](/molmil-images/mine/6u2h) | BRAF dimer bound to 14-3-3 | 分子名称: | 14-3-3 protein zeta/delta, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Serine/threonine-protein kinase B-raf | 著者 | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | 登録日 | 2019-08-19 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat.Struct.Mol.Biol., 27, 2020
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