6DMG
 
 | | A multiconformer ligand model of EK6 bound to ERK2 | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | | 著者 | Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DMH
 | | A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant | | 分子名称: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DML
 | | A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DMJ
 | | A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | | 分子名称: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DMI
 | | A multiconformer ligand model of 5T5 bound to BACE-1 | | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DMK
 | | A multiconformer ligand model of an isoxazolyl-benzimidazole ligand bound to the bromodomain of human CREBBP | | 分子名称: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ... | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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7VFX
 | | The structure of Formyl Peptide Receptor 1 in complex with Gi and peptide agonist fMIFL | | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, X.K, Chen, G, Liao, Q.W, Du, Y, Hu, H.L, Ye, D.Q. | | 登録日 | 2021-09-14 | | 公開日 | 2022-09-21 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for recognition of N-formyl peptides as pathogen-associated molecular patterns.
Nat Commun, 13, 2022
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7EUO
 | | The structure of formyl peptide receptor 1 in complex with Gi and peptide agonist fMLF | | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, X.K, Chen, G, Liao, Q.W, Du, Y, Hu, H.L, Ye, D.Q. | | 登録日 | 2021-05-18 | | 公開日 | 2022-05-25 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis for recognition of N-formyl peptides as pathogen-associated molecular patterns.
Nat Commun, 13, 2022
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7MIH
 | | Human CTPS2 bound to inhibitor R80 | | 分子名称: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | 登録日 | 2021-04-16 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIG
 | | Human CTPS1 bound to inhibitor T35 | | 分子名称: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 1, GLUTAMINE, ... | | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | 登録日 | 2021-04-16 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH0
 | | Human CTPS1 bound to CTP | | 分子名称: | CTP synthase 1, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Lynch, E.M, Kollman, J.M. | | 登録日 | 2021-04-14 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIV
 | | Mouse CTPS2-I250T bound to inhibitor R80 | | 分子名称: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | 登録日 | 2021-04-17 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MII
 | | Human CTPS2 bound to inhibitor T35 | | 分子名称: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 2, GLUTAMINE, ... | | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | 登録日 | 2021-04-16 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH1
 | | Human CTPS2 bound to CTP | | 分子名称: | CTP synthase 2, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Lynch, E.M, Kollman, J.M. | | 登録日 | 2021-04-14 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIU
 | | Mouse CTPS2 bound to inhibitor R80 | | 分子名称: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | 登録日 | 2021-04-17 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIP
 | | Mouse CTPS1 bound to inhibitor R80 | | 分子名称: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | 登録日 | 2021-04-17 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MGZ
 | | Human CTPS1 bound to UTP, AMPPNP, and glutamine | | 分子名称: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | 登録日 | 2021-04-14 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIF
 | | Human CTPS1 bound to inhibitor R80 | | 分子名称: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | 登録日 | 2021-04-16 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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