5KR9
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![BU of 5kr9 by Molmil](/molmil-images/mine/5kr9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol | 分子名称: | Coumestrol, Estrogen receptor, NCOA2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-07-07 | 公開日 | 2017-02-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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8BOI
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![BU of 8boi by Molmil](/molmil-images/mine/8boi) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9 | 分子名称: | 4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | 登録日 | 2022-11-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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5DUO
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![BU of 5duo by Molmil](/molmil-images/mine/5duo) | Crystal structure of native translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, PROTOPORPHYRIN IX, ... | 著者 | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | 登録日 | 2015-09-20 | 公開日 | 2015-11-11 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Response to Comment on "Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism". Science, 350, 2015
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5KQU
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![BU of 5kqu by Molmil](/molmil-images/mine/5kqu) | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | 分子名称: | 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | 登録日 | 2016-07-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction Green Chemistry, 19, 2017
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7KYD
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![BU of 7kyd by Molmil](/molmil-images/mine/7kyd) | Drosophila melanogaster long-chain fatty-acyl-CoA synthetase CG6178 | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine, Long-chain fatty-acyl-CoA synthetase CG6178 | 著者 | Adams, S.T, Zephyr, J, Bohn, M.F, Schiffer, C.A, Miller, S.C. | 登録日 | 2020-12-07 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | FruitFire: a luciferase based on a fruit fly metabolic enzyme. Biorxiv, 2023
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5KRK
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![BU of 5krk by Molmil](/molmil-images/mine/5krk) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol | 分子名称: | 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, NCOA2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-07-07 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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8BOK
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![BU of 8bok by Molmil](/molmil-images/mine/8bok) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | 分子名称: | Ephrin type-A receptor 2, ~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | 登録日 | 2022-11-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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4EYT
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![BU of 4eyt by Molmil](/molmil-images/mine/4eyt) | Crystal structure of the C-terminal domain of Tetrahymena telomerase protein p65 | 分子名称: | SULFATE ION, Telomerase associated protein p65 | 著者 | Singh, M, Wang, Z, Koo, B.-K, Patel, A, Cascio, D, Collins, K, Feigon, J. | 登録日 | 2012-05-01 | 公開日 | 2012-06-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Basis for Telomerase RNA Recognition and RNP Assembly by the Holoenzyme La Family Protein p65. Mol.Cell, 47, 2012
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3CAK
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![BU of 3cak by Molmil](/molmil-images/mine/3cak) | X-ray structure of WT PTE with ethyl phosphate | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ... | 著者 | Kim, J, Tsai, P.-C, Almo, S.C, Raushel, F.M. | 登録日 | 2008-02-20 | 公開日 | 2008-10-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structure of diethyl phosphate bound to the binuclear metal center of phosphotriesterase. Biochemistry, 47, 2008
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8OV1
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5KRM
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![BU of 5krm by Molmil](/molmil-images/mine/5krm) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2,5-difluoro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol | 分子名称: | (1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol, Estrogen receptor, NCOA2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-07-07 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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8OV3
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![BU of 8ov3 by Molmil](/molmil-images/mine/8ov3) | SARS-CoV-2 nsp10-16 methyltransferase in complex with 5-Iodotubercidin | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ... | 著者 | Kremling, V, Sprenger, J, Oberthuer, D. | 登録日 | 2023-04-25 | 公開日 | 2023-05-10 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16 To Be Published
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3L8Z
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![BU of 3l8z by Molmil](/molmil-images/mine/3l8z) | H-Ras wildtype new crystal form | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R. | 登録日 | 2010-01-04 | 公開日 | 2011-01-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes Angew.Chem.Int.Ed.Engl., 49, 2010
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5KSR
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![BU of 5ksr by Molmil](/molmil-images/mine/5ksr) | Stationary phase survival protein E (SurE) from Xylella fastidiosa - XFSurE-TB (Tetramer Bigger). | 分子名称: | 5'-nucleotidase SurE, CHLORIDE ION, IODIDE ION, ... | 著者 | Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, M.A, Polikarpov, I, De Souza, A.P, De Aparicio, R, Iulek, J. | 登録日 | 2016-07-09 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis. Proteins, 85, 2017
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5DLT
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![BU of 5dlt by Molmil](/molmil-images/mine/5dlt) | Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol | 分子名称: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | 著者 | Hausmann, J, Joosten, R.P, Perrakis, A. | 登録日 | 2015-09-07 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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8BOF
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![BU of 8bof by Molmil](/molmil-images/mine/8bof) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12 | 分子名称: | 4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | 登録日 | 2022-11-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BDG
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![BU of 8bdg by Molmil](/molmil-images/mine/8bdg) | Tubulin-taxane-2b complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | 登録日 | 2022-10-19 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8OOV
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![BU of 8oov by Molmil](/molmil-images/mine/8oov) | human NME-1 in complex with CoA | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | 著者 | Gouge, J, Hristov, H.D. | 登録日 | 2023-04-06 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A Unique Mode of Coenzyme A Binding to the Nucleotide Binding Pocket of Human Metastasis Suppressor NME1. Int J Mol Sci, 24, 2023
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3C96
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![BU of 3c96 by Molmil](/molmil-images/mine/3c96) | Crystal structure of the flavin-containing monooxygenase phzS from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium target PaR240 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase | 著者 | Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2008-02-15 | 公開日 | 2008-02-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of the flavin-containing monooxygenase phzS from Pseudomonas aeruginosa. To be Published
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8BDF
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![BU of 8bdf by Molmil](/molmil-images/mine/8bdf) | Tubulin-taxane-2a complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | 登録日 | 2022-10-19 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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5DMG
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![BU of 5dmg by Molmil](/molmil-images/mine/5dmg) | X-RAY STRUCTURE OF THE FAB FRAGMENT OF THE ANTI TAU ANTIBODY RB86 IN COMPLEX WITH THE PHOSPHORYLATED TAU PEPTIDE (416-430) | 分子名称: | Microtubule-associated protein, RB86 antibody Fab fragment heavy chain, RB86 antibody Fab fragment light chain | 著者 | Benz, J, Lorenz, S, Georges, G, Jochner, A, Goepfert, U, Grueninger, F, Bujotzek, A. | 登録日 | 2015-09-08 | 公開日 | 2015-12-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | VH-VL orientation prediction for antibody humanization candidate selection: A case study. Mabs, 8, 2016
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1UN2
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![BU of 1un2 by Molmil](/molmil-images/mine/1un2) | Crystal structure of circularly permuted CPDSBA_Q100T99: Preserved Global Fold and Local Structural Adjustments | 分子名称: | THIOL-DISULFIDE INTERCHANGE PROTEIN | 著者 | Manjasetty, B.A, Hennecke, J, Glockshuber, R, Heinemann, U. | 登録日 | 2003-09-03 | 公開日 | 2003-09-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of Circularly Permuted Dsba(Q100T99): Preserved Global Fold and Local Structural Adjustments Acta Crystallogr.,Sect.D, 60, 2004
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5DKP
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![BU of 5dkp by Molmil](/molmil-images/mine/5dkp) | Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556. | 分子名称: | ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ... | 著者 | Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A. | 登録日 | 2015-09-03 | 公開日 | 2016-01-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.381 Å) | 主引用文献 | Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity. J.Med.Chem., 59, 2016
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8OT0
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![BU of 8ot0 by Molmil](/molmil-images/mine/8ot0) | SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA and glycine | 分子名称: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Kremling, V, Sprenger, J, Oberthuer, D, Falke, S. | 登録日 | 2023-04-20 | 公開日 | 2023-05-10 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16 To Be Published
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1UT1
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![BU of 1ut1 by Molmil](/molmil-images/mine/1ut1) | DraE adhesin from Escherichia Coli | 分子名称: | 1,2-ETHANEDIOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION | 著者 | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | 登録日 | 2003-12-02 | 公開日 | 2004-08-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol J.Biol.Chem., 279, 2004
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