6PDW
 
 | | Msp1-substrate complex in closed conformation | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | 著者 | Wang, L, Myasnikov, A, Pan, X, Walter, P. | | 登録日 | 2019-06-19 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure of the AAA protein Msp1 reveals mechanism of mislocalized membrane protein extraction.
Elife, 9, 2020
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2VYV
 | | Structure of E.Coli GAPDH Rat Sperm GAPDH heterotetramer | | 分子名称: | FORMIC ACID, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Frayne, J, Taylor, A, Hall, L, Hadfield, A. | | 登録日 | 2008-07-29 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design.
J.Biol.Chem., 284, 2009
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2CEJ
 | | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | | 分子名称: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, POL PROTEIN | | 著者 | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | | 登録日 | 2006-02-07 | | 公開日 | 2007-02-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold
J.Med.Chem., 49, 2006
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6PPA
 | | Crystal structure of the unliganded bromodomain of human BRD7 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 7, PHOSPHATE ION | | 著者 | Chan, A, Karim, M.R, Zhu, J, Schonbrunn, E. | | 登録日 | 2019-07-05 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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2IUF
 | | The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Murshudov, G, Borovik, A, Grebenko, A, Barynin, V, Vagin, A, Melik-Adamyan, W. | | 登録日 | 2006-06-02 | | 公開日 | 2006-07-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations.
J.Am.Chem.Soc., 129, 2007
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6PJC
 | | HIV-1 Protease NL4-3 WT in Complex with LR4-41 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-06-28 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.965 Å) | | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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3B2K
 | | Iodide derivative of human LFABP | | 分子名称: | Fatty acid-binding protein, liver, IODIDE ION, ... | | 著者 | Sharma, A, Yogavel, M, Sharma, A. | | 登録日 | 2011-08-03 | | 公開日 | 2012-06-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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6FX8
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5G1A
 | | Bordetella Alcaligenes HDAH bound to PFSAHA | | 分子名称: | 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | | 著者 | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | 登録日 | 2016-03-24 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
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3SJG
 | | Human glutamate carboxypeptidase II (E424A inactive mutant ) in complex with N-acetyl-aspartyl-aminooctanoic acid | | 分子名称: | (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 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 | Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C. | | 登録日 | 2011-06-21 | | 公開日 | 2011-10-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
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2C95
 | | Structure of adenylate kinase 1 in complex with P1,P4-di(adenosine) tetraphosphate | | 分子名称: | ADENYLATE KINASE 1, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, MALONATE ION | | 著者 | Bunkoczi, G, Filippakopoulos, P, Jansson, A, Longman, E, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S. | | 登録日 | 2005-12-09 | | 公開日 | 2007-02-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Structure of Adenylate Kinase 1 in Complex with P1, P4-Di(Adenosine)Tetraphosphate
To be Published
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3SJE
 | | X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-aminononanoic acid | | 分子名称: | (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 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 | Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C. | | 登録日 | 2011-06-21 | | 公開日 | 2011-10-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
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2IDE
 | | Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 | | 分子名称: | Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION | | 著者 | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2006-09-15 | | 公開日 | 2007-09-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8
To be Published
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3SKR
 | | Crystal structure of the 2'- Deoxyguanosine riboswitch bound to 2'- Deoxyguanosine, cobalt Hexammine soak | | 分子名称: | 2'-DEOXY-GUANOSINE, COBALT HEXAMMINE(III), MAGNESIUM ION, ... | | 著者 | Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A. | | 登録日 | 2011-06-23 | | 公開日 | 2011-08-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch.
Nat.Chem.Biol., 7, 2011
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6FOG
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3SKZ
 | | Crystal structure of the 2'- deoxyguanosine riboswitch bound to guanosine | | 分子名称: | GUANOSINE, MAGNESIUM ION, RNA (68-MER), ... | | 著者 | Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A. | | 登録日 | 2011-06-23 | | 公開日 | 2011-08-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.605 Å) | | 主引用文献 | Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch.
Nat.Chem.Biol., 7, 2011
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3SLZ
 | | The crystal structure of XMRV protease complexed with TL-3 | | 分子名称: | FORMIC ACID, SODIUM ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, ... | | 著者 | Li, M, Gustchina, A, Wlodawer, A. | | 登録日 | 2011-06-27 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural and biochemical characterization of the inhibitor complexes of xenotropic murine leukemia virus-related virus protease.
Febs J., 278, 2011
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3SM2
 | | The crystal structure of XMRV protease complexed with Amprenavir | | 分子名称: | gag-pro-pol polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | 著者 | Li, M, Gustchina, A, Wlodawer, A. | | 登録日 | 2011-06-27 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural and biochemical characterization of the inhibitor complexes of xenotropic murine leukemia virus-related virus protease.
Febs J., 278, 2011
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1I6U
 | | RNA-PROTEIN INTERACTIONS: THE CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN S8/RRNA COMPLEX FROM METHANOCOCCUS JANNASCHII | | 分子名称: | 16S RRNA FRAGMENT, 30S RIBOSOMAL PROTEIN S8P, SULFATE ION | | 著者 | Tishchenko, S, Nikulin, A, Fomenkova, N, Nevskaya, N, Nikonov, O, Dumas, P, Moine, H, Ehresmann, B, Ehresmann, C, Piendl, W, Lamzin, V, Garber, M, Nikonov, S. | | 登録日 | 2001-03-05 | | 公開日 | 2001-08-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Detailed analysis of RNA-protein interactions within the ribosomal protein S8-rRNA complex from the archaeon Methanococcus jannaschii.
J.Mol.Biol., 311, 2001
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6PKU
 | | Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain (C51S C221S) in complex with N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) and mannose 6-phosphate (M6P) | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ... | | 著者 | Gorelik, A, Illes, K, Nagar, B. | | 登録日 | 2019-06-29 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | | 主引用文献 | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
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6PLH
 | | FAB fragment complexed with C-mannosylated tryptophan peptide | | 分子名称: | Fab 5G12 heavy chain, Fab 5G12 light chain, Interleukin-21 receptor, ... | | 著者 | John, A, Jarva, M.A, Goddard-Borger, E.D. | | 登録日 | 2019-06-30 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Yeast- and antibody-based tools for studying tryptophan C-mannosylation.
Nat.Chem.Biol., 17, 2021
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3SLQ
 | | Crystal structure of the 2'- Deoxyguanosine riboswitch bound to guanosine-5'-monophosphate | | 分子名称: | GUANOSINE-5'-MONOPHOSPHATE, RNA (68-MER), SUCCINIC ACID, ... | | 著者 | Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A. | | 登録日 | 2011-06-24 | | 公開日 | 2011-08-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch.
Nat.Chem.Biol., 7, 2011
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2IHC
 | | Crystal structure of the bric-a-brac (BTB) domain of human BACH1 | | 分子名称: | Transcription regulator protein BACH1 | | 著者 | Amos, A.L, Turnbull, A.P, Bunkoczi, G, Papagrigoriou, E, Gorrec, F, Umeano, C, Bullock, A, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2006-09-26 | | 公開日 | 2006-10-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Crystal structure of the bric-a-brac (BTB) domain of human BACH1
To be Published
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5CGD
 | | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242) | | 分子名称: | 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID | | 著者 | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | | 登録日 | 2015-07-09 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.603 Å) | | 主引用文献 | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
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5CGC
 | | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | | 著者 | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | | 登録日 | 2015-07-09 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | | 主引用文献 | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
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