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2W1E
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W1I
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
4AUA
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Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)
分子名称: 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6
著者Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S.
登録日2012-05-15
公開日2013-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
1KUL
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GLUCOAMYLASE, GRANULAR STARCH-BINDING DOMAIN, NMR, 5 STRUCTURES
分子名称: GLUCOAMYLASE
著者Sorimachi, K, Jacks, A.J, Le Gal-Coeffet, M.-F, Williamson, G, Archer, D.B, Williamson, M.P.
登録日1996-01-12
公開日1996-07-11
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Solution structure of the granular starch binding domain of glucoamylase from Aspergillus niger by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 259, 1996
1KUM
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GLUCOAMYLASE, GRANULAR STARCH-BINDING DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: GLUCOAMYLASE
著者Sorimachi, K, Jacks, A.J, Le Gal-Coeffet, M.-F, Williamson, G, Archer, D.B, Williamson, M.P.
登録日1996-01-12
公開日1996-07-11
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Solution structure of the granular starch binding domain of glucoamylase from Aspergillus niger by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 259, 1996
1ACZ
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GLUCOAMYLASE, GRANULAR STARCH-BINDING DOMAIN COMPLEX WITH CYCLODEXTRIN, NMR, 5 STRUCTURES
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLUCOAMYLASE
著者Sorimachi, K, Le Gal-Coeffet, M.-F, Williamson, G, Archer, D.B, Williamson, M.P.
登録日1997-02-10
公開日1997-07-07
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Solution structure of the granular starch binding domain of Aspergillus niger glucoamylase bound to beta-cyclodextrin.
Structure, 5, 1997
1AC0
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GLUCOAMYLASE, GRANULAR STARCH-BINDING DOMAIN COMPLEX WITH CYCLODEXTRIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLUCOAMYLASE
著者Sorimachi, K, Le Gal-Coeffet, M.-F, Williamson, G, Archer, D.B, Williamson, M.P.
登録日1997-02-10
公開日1997-07-07
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Solution structure of the granular starch binding domain of Aspergillus niger glucoamylase bound to beta-cyclodextrin.
Structure, 5, 1997
1TE1
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Crystal structure of family 11 xylanase in complex with inhibitor (XIP-I)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, endo-1,4-xylanase, ...
著者Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A.
登録日2004-05-24
公開日2004-07-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES.
J.Biol.Chem., 279, 2004
1TA3
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Crystal Structure of xylanase (GH10) in complex with inhibitor (XIP)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-1,4-beta-xylanase, ...
著者Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A.
登録日2004-05-19
公開日2004-07-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES.
J.Biol.Chem., 279, 2004
1OM0
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crystal structure of xylanase inhibitor protein (XIP-I) from wheat
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Xylanase Inhibitor Protein I
著者Payan, F, Flatman, R, Porciero, S, Williamson, G, Juge, N, Roussel, A.
登録日2003-02-24
公開日2003-06-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of xylanase inhibitor protein I (XIP-I), a proteinaceous xylanase inhibitor from wheat (Triticum aestivum, var. Soisson).
Biochem.J., 372, 2003
5JAP
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Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
4ETC
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Lysozyme, room temperature, 24 kGy dose
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETA
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Lysozyme, room temperature, 400 kGy dose
分子名称: CHLORIDE ION, Lysozyme C
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ET8
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Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETB
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lysozyme, room temperature, 200 kGy dose
分子名称: CHLORIDE ION, Lysozyme C
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.908 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETE
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Lysozyme, room-temperature, rotating anode, 0.0021 MGy
分子名称: CHLORIDE ION, Lysozyme C
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ET9
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Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETD
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Lysozyme, room-temperature, rotating anode, 0.0026 MGy
分子名称: CHLORIDE ION, Lysozyme C
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
1JRH
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COMPLEX (ANTIBODY/ANTIGEN)
分子名称: ANTIBODY A6, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN
著者Winkler, F.K, Sogabe, S.
登録日1997-09-23
公開日1998-03-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Neutralizing epitopes on the extracellular interferon gamma receptor (IFNgammaR) alpha-chain characterized by homolog scanning mutagenesis and X-ray crystal structure of the A6 fab-IFNgammaR1-108 complex.
J.Mol.Biol., 273, 1997
8GJ9
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RAD51C N-terminal domain
分子名称: RAD51C, ZINC ION
著者Arvai, A.S, Tainer, J.A, Williams, G.
登録日2023-03-15
公開日2023-08-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
8GJ8
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RAD51C C-terminal domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C
著者Arvai, A.S, Tainer, J.A, Williams, G.
登録日2023-03-15
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
5J7A
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Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
著者Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
登録日2016-04-06
公開日2016-08-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
8GJA
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RAD51C-XRCC3 structure
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ...
著者Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A.
登録日2023-03-15
公開日2023-08-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
7AUD
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Structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bloom syndrome protein,Bloom syndrome protein, DNA (5'-D(*GP*TP*AP*CP*CP*CP*GP*AP*TP*GP*TP*GP*T)-3'), ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
7AUC
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Crystal structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021

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