3C3W
 
 | | Crystal Structure of the Mycobacterium tuberculosis Hypoxic Response Regulator DosR | | 分子名称: | SULFATE ION, TWO COMPONENT TRANSCRIPTIONAL REGULATORY PROTEIN DEVR | | 著者 | Wisedchaisri, G, Wu, M, Sherman, D.R, Hol, W.G.J. | | 登録日 | 2008-01-28 | | 公開日 | 2008-04-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of the response regulator DosR from Mycobacterium tuberculosis suggest a helix rearrangement mechanism for phosphorylation activation
J.Mol.Biol., 378, 2008
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3LC0
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4WE1
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600) | | 分子名称: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, Gag-Pol polyprotein, MAGNESIUM ION, ... | | 著者 | Frey, K.M, Anderson, K.S. | | 登録日 | 2014-09-09 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.491 Å) | | 主引用文献 | Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.
Acs Med.Chem.Lett., 5, 2014
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5OUG
 | | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline and allosteric binder fragment 4. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, Alpha-Lobeline, ... | | 著者 | Delbart, F, Gruss, F, Ulens, C. | | 登録日 | 2017-08-23 | | 公開日 | 2017-12-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein.
J. Biol. Chem., 293, 2018
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5OUI
 | | Humanized alpha-AChBP (acetylcholine binding protein) in complex with allosteric binder fragment CU2017 | | 分子名称: | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Delbart, F, Gruss, F, Ulens, C. | | 登録日 | 2017-08-23 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein.
J. Biol. Chem., 293, 2018
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5OUH
 | | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, Alpha-Lobeline, ... | | 著者 | Delbart, F, Gruss, F, Ulens, C. | | 登録日 | 2017-08-23 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein.
J. Biol. Chem., 293, 2018
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4TIM
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7Y5C
 | | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 2) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Saw, W.-G, Wong, C.F, Grueber, G. | | 登録日 | 2022-06-16 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-01-11 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
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7Y5D
 | | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 3) (backbone) | | 分子名称: | ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ... | | 著者 | Saw, W.-G, Wong, C.F, Grueber, G. | | 登録日 | 2022-06-16 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-01-11 | | 実験手法 | ELECTRON MICROSCOPY (7.3 Å) | | 主引用文献 | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
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7Y5A
 | | Cryo-EM structure of the Mycolicibacterium smegmatis F1-ATPase | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... | | 著者 | Wong, C.F, Saw, W.-G, Grueber, G. | | 登録日 | 2022-06-16 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-01-11 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
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7Y5B
 | | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Saw, W.-G, Wong, C.F, Grueber, G. | | 登録日 | 2022-06-16 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-01-11 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
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6LIG
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5TQU
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3SIL
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7MU5
 | | Human DCTPP1 bound to Triptolide | | 分子名称: | MAGNESIUM ION, dCTP pyrophosphatase 1, triptolide | | 著者 | Hauk, G, Berger, J.M. | | 登録日 | 2021-05-14 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Triptolide sensitizes cancer cells to nucleoside DNA methyltransferase inhibitors through inhibition of DCTPP1 mediated cell-intrinsic resistance
To Be Published
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6TIM
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7LSW
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7LT6
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6UFX
 | | WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | | 分子名称: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 | | 著者 | Rietz, T.A, Fesik, S.W, Zhao, B. | | 登録日 | 2019-09-25 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
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6UCS
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4MX9
 | | CDPK1 from Neospora caninum in complex with inhibitor UW1294 | | 分子名称: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | | 著者 | Merritt, E.A. | | 登録日 | 2013-09-26 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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3CHB
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2H9X
 | | NMR structure for the CgNa toxin from the sea anemone Condylactis gigantea | | 分子名称: | Toxin CgNa | | 著者 | Lopez-Mendez, B, Perez-Castells, J, Gimenez-Gallego, G, Jimenez-Barbero, J. | | 登録日 | 2006-06-12 | | 公開日 | 2007-06-05 | | 最終更新日 | 2022-03-09 | | 実験手法 | SOLUTION NMR | | 主引用文献 | CgNa, a type I toxin from the giant Caribbean sea anemone Condylactis gigantea shows structural similarities to both type I and II toxins, as well as distinctive structural and functional properties(1).
Biochem.J., 406, 2007
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1MD2
 | | CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013 | | 分子名称: | 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ... | | 著者 | Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E. | | 登録日 | 2002-08-06 | | 公開日 | 2002-12-11 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124, 2002
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1MAF
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