7LOE
 
 | | T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene | | 分子名称: | 1-fluoranylnaphthalene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | 登録日 | 2021-02-10 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOB
 | | T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene | | 分子名称: | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | 登録日 | 2021-02-09 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOJ
 | | T4 lysozyme mutant L99A in complex with 4-(3-phenylpropyl)aniline | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(3-phenylpropyl)aniline, Lysozyme | | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | 登録日 | 2021-02-10 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOA
 | | T4 lysozyme mutant L99A in complex with 3-fluoroiodobenzene | | 分子名称: | 1-fluoranyl-3-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | 登録日 | 2021-02-09 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOF
 | | T4 lysozyme mutant L99A in complex with 2-butylthiophene | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-butylthiophene, BETA-MERCAPTOETHANOL, ... | | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | 登録日 | 2021-02-10 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LX9
 | | T4 lysozyme mutant L99A | | 分子名称: | (but-3-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | 登録日 | 2021-03-03 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOD
 | | T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene | | 分子名称: | 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | 登録日 | 2021-02-10 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4BK6
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7KYW
 | | Crystal structure of timothy grass allergen Phl p 12.0101 reveals an unusual profilin dimer | | 分子名称: | CITRIC ACID, Profilin-1 | | 著者 | O'Malley, A, Kapingidza, A.B, Hyduke, N, Dolamore, C, Chruszcz, M. | | 登録日 | 2020-12-09 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of timothy grass allergen Phl p 12.0101 reveals an unusual profilin dimer.
Acta Biochim.Pol., 68, 2021
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1JS7
 | | Solution Structure of dAAUAA DNA Bulge | | 分子名称: | 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*UP*AP*AP*GP*CP*TP*AP*CP*G)-3' | | 著者 | Gollmick, F.A, Lorenz, M, Dornberger, U, von Langen, J, Diekmann, S, Fritzsche, H. | | 登録日 | 2001-08-16 | | 公開日 | 2002-06-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of dAATAA and dAAUAA DNA bulges.
Nucleic Acids Res., 30, 2002
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6S6N
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6S6M
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1QQQ
 | | CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | | 分子名称: | SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T. | | 登録日 | 1999-06-07 | | 公開日 | 1999-06-14 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
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1H1I
 | | CRYSTAL STRUCTURE OF QUERCETIN 2,3-DIOXYGENASE ANAEROBICALLY COMPLEXED WITH THE SUBSTRATE QUERCETN | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Steiner, R.A, Dijkstra, B.W. | | 登録日 | 2002-07-15 | | 公開日 | 2002-11-28 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Anaerobic Enzyme.Substrate Structures Provide Insight Into the Reaction Mechanism of the Copper- Dependent Quercetin 2,3-Dioxygenase.
Proc.Natl.Acad.Sci.USA, 99, 2002
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2WOT
 | | ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine | | 分子名称: | 1,2-ETHANEDIOL, 4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE, TGF-BETA RECEPTOR TYPE-1 | | 著者 | Norman, R.A, Debreczeni, J.E, Goldberg, F.W, Ward, R.A, Finlay, R, Powell, S.J, Roberts, N.J, Dishington, A.P, Gingell, H.J, Wickson, K.F, Roberts, A.L. | | 登録日 | 2009-07-28 | | 公開日 | 2009-09-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Rapid Generation of a High Quality Lead for Transforming Growth Factor-Beta (Tgf-Beta) Type I Receptor (Alk5).
J.Med.Chem., 52, 2009
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7AMD
 | | In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design | | 分子名称: | Choline O-acetyltransferase, SODIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | 著者 | Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A. | | 登録日 | 2020-10-08 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8R74
 | | Galectin-1 in complex with thiogalactoside derivative | | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1 | | 著者 | Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U. | | 登録日 | 2023-11-23 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
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2MX4
 | | NMR structure of Phosphorylated 4E-BP2 | | 分子名称: | Eukaryotic translation initiation factor 4E-binding protein 2 | | 著者 | Bah, A, Forman-Kay, J, Vernon, R, Siddiqui, Z, Krzeminski, M, Muhandiram, R, Zhao, C, Sonenberg, N, Kay, L. | | 登録日 | 2014-12-10 | | 公開日 | 2015-01-07 | | 最終更新日 | 2015-03-18 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Folding of an intrinsically disordered protein by phosphorylation as a regulatory switch.
Nature, 519, 2015
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8PD3
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 2 | | 分子名称: | Sperm-specific sodium proton exchanger | | 著者 | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | 登録日 | 2023-06-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PD7
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 4 | | 分子名称: | Sperm-specific sodium proton exchanger | | 著者 | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | 登録日 | 2023-06-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PD2
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 1 | | 分子名称: | Sperm-specific sodium proton exchanger | | 著者 | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | 登録日 | 2023-06-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PCZ
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, dimer | | 分子名称: | Sperm-specific sodium proton exchanger | | 著者 | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | 登録日 | 2023-06-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | | 主引用文献 | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PD5
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 3 | | 分子名称: | Sperm-specific sodium proton exchanger | | 著者 | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | 登録日 | 2023-06-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PD9
 | | cAMP-bound SpSLC9C1 in lipid nanodiscs, protomer state 1 | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger | | 著者 | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | 登録日 | 2023-06-12 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PDV
 | | cGMP-bound SpSLC9C1 in lipid nanodiscs, protomer | | 分子名称: | CYCLIC GUANOSINE MONOPHOSPHATE, Sperm-specific sodium proton exchanger | | 著者 | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | 登録日 | 2023-06-12 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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