5TBW
 
 | | Crystal structure of chlorolissoclimide bound to the yeast 80S ribosome | | 分子名称: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | 著者 | Konst, Z.A, Szklarski, A.R, Pellegrino, S, Michalak, S.E, Meyer, M, Zanette, C, Cencic, R, Nam, S, Horne, D.A, Pelletier, J, Mobley, D.L, Yusupova, G, Yusupov, M, Vanderwal, C.D. | | 登録日 | 2016-09-13 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides.
Nat Chem, 9, 2017
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3HT8
 | | 5-chloro-2-methylphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 5-chloro-2-methylphenol, Lysozyme, PHOSPHATE ION | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HTG
 | | 2-ethoxy-3,4-dihydro-2h-pyran in complex with T4 lysozyme L99A/M102Q | | 分子名称: | (2S)-2-ethoxy-3,4-dihydro-2H-pyran, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HUA
 | | 4,5,6,7-tetrahydroindole in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 4,5,6,7-tetrahydro-1H-indole, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-13 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HU8
 | | 2-ethoxyphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 2-ethoxyphenol, Lysozyme, PHOSPHATE ION | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-13 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HT7
 | | 2-ethylphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HTF
 | | 4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HU9
 | | Nitrosobenzene in complex with T4 lysozyme L99A/M102Q | | 分子名称: | Lysozyme, NITROSOBENZENE, PHOSPHATE ION | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-13 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HT9
 | | 2-methoxyphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | BETA-MERCAPTOETHANOL, Guaiacol, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HUQ
 | | Thieno[3,2-b]thiophene in complex with T4 lysozyme L99A/M102Q | | 分子名称: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-15 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HUK
 | | Benzylacetate in complex with T4 lysozyme L99A/M102Q | | 分子名称: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-14 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HT6
 | | 2-methylphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | Lysozyme, PHOSPHATE ION, o-cresol | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HTD
 | | (Z)-Thiophene-2-carboxaldoxime in complex with T4 lysozyme L99A/M102Q | | 分子名称: | (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HTB
 | | 2-propylphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 2-propylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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2OTZ
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2OTY
 | | 1,2-dichlorobenzene in complex with T4 Lysozyme L99A | | 分子名称: | 1,2-DICHLOROBENZENE, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Graves, A.P, Shoichet, B.K. | | 登録日 | 2007-02-09 | | 公開日 | 2007-08-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
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2OU0
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6HHQ
 | | Crystal structure of compound C45 bound to the yeast 80S ribosome | | 分子名称: | (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione, 18S ribosomal RNA, 25S ribosomal RNA, ... | | 著者 | Pellegrino, S, Vanderwal, C.D, Yusupov, M. | | 登録日 | 2018-08-28 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (3.10000038 Å) | | 主引用文献 | Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosome.
Nucleic Acids Res., 47, 2019
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6PLE
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6URF
 | | Malic enzyme from Mycobacterium tuberculosis | | 分子名称: | GLYCEROL, NAD-dependent malic enzyme | | 著者 | Cuthbert, B.J, Burley, K.H, Goulding, C.W, Mathews, E.I, Beste, D.J. | | 登録日 | 2019-10-23 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structural and Molecular Dynamics of Mycobacterium tuberculosis Malic Enzyme, a Potential Anti-TB Drug Target.
Acs Infect Dis., 7, 2021
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7UJX
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Wych, D.C, Aoto, P.C, Wall, M.E. | | 登録日 | 2022-03-31 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7V0G
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Wych, D.C, Aoto, P.C, Wall, M.E. | | 登録日 | 2022-05-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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6N55
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine | | 分子名称: | 2'-azido-2'-deoxyuridine, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | 登録日 | 2018-11-21 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.085 Å) | | 主引用文献 | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
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6N54
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidocytidine monophosphate | | 分子名称: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate), GLYCEROL, MAGNESIUM ION, ... | | 著者 | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | 登録日 | 2018-11-21 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.424 Å) | | 主引用文献 | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
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6N53
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine monophosphate | | 分子名称: | 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | 登録日 | 2018-11-21 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
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