7A78
 
 | | Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-08-27 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.
Int J Mol Sci, 21, 2020
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7A77
 | | Crystal structure of RXR alpha LBD in complexes with palmitic acid and GRIP-1 peptide | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-08-27 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.
Int J Mol Sci, 21, 2020
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7A04
 | | Structure of human CKa1 in complex with compound b | | 分子名称: | 1,2-ETHANEDIOL, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, Choline kinase alpha | | 著者 | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | | 登録日 | 2020-08-06 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
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6ZO0
 | | 2.23 A resolution 3,4-dimethylcatechol (3,4-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3JUY
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7AAB
 | | Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | | 登録日 | 2020-09-04 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
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7AB8
 | | Crystal structure of a GDNF-GFRalpha1 complex | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Adams, S.E, Earl, C.P, Purkiss, A.G, McDonald, N.Q. | | 登録日 | 2020-09-07 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
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6ZS2
 | | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | | 分子名称: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | | 著者 | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-07-15 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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6ZNV
 | | Protein polybromo-1 (PB1 BD2) Bound To DP28 | | 分子名称: | 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ... | | 著者 | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | | 登録日 | 2020-07-06 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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7A0P
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11i | | 分子名称: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-08-10 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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7A06
 | | Structure of human CKa1 in complex with compound o | | 分子名称: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | | 著者 | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | | 登録日 | 2020-08-06 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
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6ZS4
 | | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | | 分子名称: | 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | | 著者 | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-07-15 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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6ZON
 | | SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1 | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | 著者 | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2020-07-07 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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7A5K
 | | Structure of the human mitoribosome in the post translocation state bound to mtEF-G1 | | 分子名称: | 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ... | | 著者 | Desai, N, Yang, H, Chandrasekaran, V, Kazi, R, Minczuk, M, Ramakrishnan, V. | | 登録日 | 2020-08-21 | | 公開日 | 2020-12-23 | | 最終更新日 | 2025-10-01 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Elongational stalling activates mitoribosome-associated quality control.
Science, 370, 2020
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3K3E
 | | Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 | | 分子名称: | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | | 登録日 | 2009-10-02 | | 公開日 | 2010-02-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
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5W70
 | | X-ray Structure of RbmB from Streptomyces ribosidificus | | 分子名称: | 1,2-ETHANEDIOL, L-glutamine:2-deoxy-scyllo-inosose aminotransferase, [4-({[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate | | 著者 | Zachman-Brockmeyer, T.R, Thoden, J.B, Holden, H.M. | | 登録日 | 2017-06-19 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structure of RbmB from Streptomyces ribosidificus, an aminotransferase involved in the biosynthesis of ribostamycin.
Protein Sci., 26, 2017
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5VYR
 | | Crystal structure of the WbkC formyl transferase from Brucella melitensis | | 分子名称: | (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M. | | 登録日 | 2017-05-26 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
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3K3H
 | | Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691 | | 分子名称: | 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | | 登録日 | 2009-10-02 | | 公開日 | 2010-02-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
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5VKG
 | | Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole | | 分子名称: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium, Tumor susceptibility gene 101 protein | | 著者 | Strickland, M, Ehrlich, L.S, Watanabe, S, Khan, M, Strub, M.-P, Luan, C.H, Powell, M.D, Leis, J, Tjandra, N, Carter, C. | | 登録日 | 2017-04-21 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Tsg101 chaperone function revealed by HIV-1 assembly inhibitors.
Nat Commun, 8, 2017
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3K5D
 | | Crystal Structure of BACE-1 in complex with AHM178 | | 分子名称: | Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-05-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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7A5G
 | | Structure of the elongating human mitoribosome bound to mtEF-Tu.GMPPCP and A/T mt-tRNA | | 分子名称: | 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ... | | 著者 | Desai, N, Yang, H, Chandrasekaran, V, Kazi, R, Minczuk, M, Ramakrishnan, V. | | 登録日 | 2020-08-21 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (4.33 Å) | | 主引用文献 | Elongational stalling activates mitoribosome-associated quality control.
Science, 370, 2020
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3KA2
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6ZR2
 | | Cryo-EM structure of respiratory complex I in the active state from Mus musculus at 3.1 A | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J. | | 登録日 | 2020-07-10 | | 公開日 | 2020-10-21 | | 最終更新日 | 2025-04-09 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
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1W55
 | | Structure of the Bifunctional IspDF from Campylobacter jejuni | | 分子名称: | 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ... | | 著者 | Gabrielsen, M, Bond, C.S, Hunter, W.N. | | 登録日 | 2004-08-05 | | 公開日 | 2004-10-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis
J.Biol.Chem., 279, 2004
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1VPC
 | | C-TERMINAL DOMAIN (52-96) OF THE HIV-1 REGULATORY PROTEIN VPR, NMR, 1 STRUCTURE | | 分子名称: | VPR PROTEIN | | 著者 | Schueler, W, De Rocquigny, H, Baudat, Y, Sire, J, Roques, B.P. | | 登録日 | 1998-02-20 | | 公開日 | 1999-03-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of the (52-96) C-terminal domain of the HIV-1 regulatory protein Vpr: molecular insights into its biological functions.
J.Mol.Biol., 285, 1999
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