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PDB: 314 件

6QFS
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Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ...
著者Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R.
登録日2019-01-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
4O4A
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2.75 Angstrom Crystal Structure of Putative Lipoprotein from Bacillus anthracis.
分子名称: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Lipoprotein, ...
著者Minasov, G, Halavaty, A, Shuvalova, L, Winsor, J, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-12-18
公開日2014-01-01
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献2.75 Angstrom Crystal Structure of Putative Lipoprotein from Bacillus anthracis.
TO BE PUBLISHED
3HJB
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1.5 Angstrom Crystal Structure of Glucose-6-phosphate Isomerase from Vibrio cholerae.
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-05-21
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.5 Angstrom Crystal Structure of Glucose-6-phosphate Isomerase from Vibrio cholerae.
To be Published
6DTE
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GlcNAc-inspired cyclophellitol bound to NagZ
分子名称: 2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide, Beta-hexosaminidase
著者Mark, B.L, Winogrodzki, J.L.
登録日2018-06-15
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献A mechanism-based GlcNAc-inspired cyclophellitol inactivator of the peptidoglycan recycling enzyme NagZ reverses resistance to beta-lactams in Pseudomonas aeruginosa.
Chem. Commun. (Camb.), 54, 2018
3V05
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2.4 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus.
分子名称: CHLORIDE ION, Superantigen-like Protein
著者Minasov, G, Halavaty, A, Shuvalova, L, Filippova, E.V, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-07
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2.4 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus.
TO BE PUBLISHED
3UWQ
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1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Halavaty, A.S, Minasov, G, Winsor, J, Shuvalova, L, Kuhn, M, Filippova, E.V, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-02
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP)
To be Published
4FCU
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1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site
分子名称: 3-deoxy-manno-octulosonate cytidylyltransferase
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-25
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site.
TO BE PUBLISHED
3URY
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BU of 3ury by Molmil
Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus subsp. aureus NCTC 8325
分子名称: CHLORIDE ION, Exotoxin
著者Filippova, E.V, Minasov, G, Shuvalova, L, Halavaty, A, Winsor, J, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-22
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus subsp. aureus NCTC 8325
To be Published
3UN6
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2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound
分子名称: ABC transporter substrate-binding protein, PHOSPHATE ION, ZINC ION
著者Minasov, G, Wawrzak, Z, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-15
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound.
TO BE PUBLISHED
5AJZ
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Human PFKFB3 in complex with an indole inhibitor 5
分子名称: 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJX
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Human PFKFB3 in complex with an indole inhibitor 3
分子名称: (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJV
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Human PFKFB3 in complex with an indole inhibitor 1
分子名称: (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide, 2,6-di-O-phosphono-beta-D-fructofuranose, HUMAN PFKFB3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJY
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Human PFKFB3 in complex with an indole inhibitor 4
分子名称: 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJW
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Human PFKFB3 in complex with an indole inhibitor 2
分子名称: 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AK0
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BU of 5ak0 by Molmil
Human PFKFB3 in complex with an indole inhibitor 6
分子名称: (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
登録日2015-02-27
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
3KZW
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BU of 3kzw by Molmil
Crystal structure of cytosol aminopeptidase from Staphylococcus aureus COL
分子名称: CHLORIDE ION, Cytosol aminopeptidase, PHOSPHATE ION, ...
著者Hattne, J, Dubrovska, I, Halavaty, A, Minasov, G, Scott, P, Shuvalova, L, Winsor, J, Otwinowski, Z, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-12-08
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献

8Q6J
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Atomic structure and conformational variability of the HER2-Trastuzumab-Pertuzumab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, Pertuzumab Fab light chain, ...
著者Ruedas, R, Vuillemot, R, Tubiana, T, Winter, J.M, Pieri, L, Arteni, A.A, Samson, C, Jonic, J, Mathieu, M, Bressanelli, S.
登録日2023-08-11
公開日2023-09-20
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure and conformational variability of the HER2-trastuzumab-pertuzumab complex.
J.Struct.Biol., 216, 2024
8PWH
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BU of 8pwh by Molmil
Atomic structure and conformational variability of the HER2-Trastuzumab-Pertuzumab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, Pertuzumab Fab light chain, ...
著者Ruedas, R, Vuillemot, R, Tubiana, T, Winter, J.M, Pieri, L, Arteni, A.A, Samson, C, Jonic, J, Mathieu, M, Bressanelli, S.
登録日2023-07-20
公開日2024-02-21
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structure and conformational variability of the HER2-trastuzumab-pertuzumab complex.
J.Struct.Biol., 216, 2024
6MJR
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BU of 6mjr by Molmil
Azurin 122W/124F/126Re
分子名称: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
著者Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D.
登録日2018-09-21
公開日2019-02-20
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
6MJT
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Azurin 122F/124W/126Re
分子名称: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
著者Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D.
登録日2018-09-21
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
6MJS
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BU of 6mjs by Molmil
Azurin 122W/124W/126Re
分子名称: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
著者Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D.
登録日2018-09-21
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
7AVY
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BU of 7avy by Molmil
MerTK kinase domain in complex with quinazoline-based inhbitor
分子名称: N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer
著者Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
登録日2020-11-06
公開日2021-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7AVX
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MerTK kinase domain in complex with NPS-1034
分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer
著者Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
登録日2020-11-06
公開日2021-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7AW2
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MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library
分子名称: 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer
著者Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
登録日2020-11-06
公開日2021-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7AW4
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MerTK kinase domain with type 3 inhibitor from a DNA-encoded library
分子名称: 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ...
著者Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
登録日2020-11-06
公開日2021-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021

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