2Q6C
 
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | 分子名称: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | 著者 | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | 登録日 | 2007-06-04 | | 公開日 | 2007-07-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2X0X
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5OLG
 | | Structure of the A2A-StaR2-bRIL562-ZM241385 complex at 1.86A obtained from in meso soaking experiments. | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | 著者 | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | | 登録日 | 2017-07-27 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
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3AYX
 | | Membrane-bound respiratory [NiFe] hydrogenase from Hydrogenovibrio marinus in an H2-reduced condition | | 分子名称: | CARBON MONOXIDE, CYANIDE ION, FE (II) ION, ... | | 著者 | Shomura, Y, Yoon, K.S, Nishihara, H, Higuchi, Y. | | 登録日 | 2011-05-20 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
Nature, 479, 2011
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3NZC
 | | Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-carboxy(alkyloxy)pyrido[2,3-d]pyridine Derivativea | | 分子名称: | 6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | | 著者 | Cody, V. | | 登録日 | 2010-07-16 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural analysis of Pneumocystis carinii and human DHFR complexes with
NADPH and a series of five potent
6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives
Acta Crystallogr.,Sect.D, 67, 2011
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3RX4
 | | Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide | | 分子名称: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Chen, J, Luo, H, Hu, X. | | 登録日 | 2011-05-10 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
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4GOY
 | | The crystal structure of human fascin 1 K41A mutant | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | | 登録日 | 2012-08-20 | | 公開日 | 2012-11-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
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3RX2
 | | Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone | | 分子名称: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Chen, J, Luo, H, Hu, X. | | 登録日 | 2011-05-10 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
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5FC5
 | | Murine SMPDL3A in complex with phosphocholine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ... | | 著者 | Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B. | | 登録日 | 2015-12-14 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.678 Å) | | 主引用文献 | Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
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3AYZ
 | | Membrane-bound respiratory [NiFe] hydrogenase from Hydrogenovibrio marinus in an air-oxidized condition | | 分子名称: | CARBON MONOXIDE, CYANIDE ION, FE (II) ION, ... | | 著者 | Shomura, Y, Yoon, K.S, Nishihara, H, Higuchi, Y. | | 登録日 | 2011-05-20 | | 公開日 | 2011-10-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
Nature, 479, 2011
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2HRC
 | | 1.7 angstrom structure of human ferrochelatase variant R115L | | 分子名称: | CHLORIDE ION, CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Medlock, A, Swartz, L, Dailey, T.A, Dailey, H.A, Lanzilotta, W.N. | | 登録日 | 2006-07-20 | | 公開日 | 2007-03-13 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Substrate interactions with human ferrochelatase
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2A99
 | | Crystal structure of recombinant chicken sulfite oxidase at resting state | | 分子名称: | CHLORIDE ION, GLYCEROL, MOLYBDENUM ATOM, ... | | 著者 | Karakas, E, Wilson, H.L, Graf, T.N, Xiang, S, Jaramillo-Busquets, S, Rajagopalan, K.V, Kisker, C. | | 登録日 | 2005-07-11 | | 公開日 | 2005-08-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Structural insights into sulfite oxidase deficiency
J.Biol.Chem., 280, 2005
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5OV8
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2FEU
 | | P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ... | | 著者 | von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I. | | 登録日 | 2005-12-16 | | 公開日 | 2006-03-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
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3RX3
 | | Crystal Structure of Human Aldose Reductase Complexed with Sulindac | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | | 著者 | Zheng, X, Chen, J, Luo, H, Hu, X. | | 登録日 | 2011-05-10 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
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7YCA
 | | Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri | | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | 著者 | Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z. | | 登録日 | 2022-07-01 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
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1E9P
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5FCA
 | | Murine SMPDL3A in presence of excess zinc | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ... | | 著者 | Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B. | | 登録日 | 2015-12-15 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.924 Å) | | 主引用文献 | Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
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2WU2
 | | Crystal structure of the E. coli succinate:quinone oxidoreductase (SQR) SdhC His84Met mutant | | 分子名称: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | 著者 | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | | 登録日 | 2009-09-28 | | 公開日 | 2010-08-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of the E. Coli Succinate:Quinone Oxidoreductase (Sqr) Sdhc His84met Mutant
To be Published
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1P1V
 | | Crystal Structure of FALS-associated human Copper-Zinc Superoxide Dismutase (CuZnSOD) Mutant D125H to 1.4A | | 分子名称: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | 著者 | Elam, J.S, Malek, K, Rodriguez, J.A, Doucette, P.A, Taylor, A.B, Hayward, L.J, Cabelli, D.E, Valentine, J.S, Hart, P.J. | | 登録日 | 2003-04-14 | | 公開日 | 2003-08-26 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | An Alternative Mechanism of Bicarbonate-mediated Peroxidation by Copper-Zinc Superoxide Dismutase: RATES ENHANCED VIA PROPOSED ENZYME-ASSOCIATED PEROXYCARBONATE INTERMEDIATE
J.Biol.Chem., 278, 2003
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2XAY
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6N2X
 | | Anti-HIV-1 Fab 2G12 + Man9 re-refinement | | 分子名称: | Fab 2G12 heavy chain, Fab 2G12 light chain, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | | 登録日 | 2018-11-14 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
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1JRP
 | | Crystal Structure of Xanthine Dehydrogenase inhibited by alloxanthine from Rhodobacter capsulatus | | 分子名称: | CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Truglio, J.J, Theis, K, Leimkuhler, S, Rappa, R, Rajagopalan, K.V, Kisker, C. | | 登録日 | 2001-08-14 | | 公開日 | 2002-01-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus
Structure, 10, 2002
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7LKX
 | | 1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e | | 分子名称: | (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | | 登録日 | 2021-02-02 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
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7LKV
 | | 1.55 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c | | 分子名称: | (1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 1,2-ETHANEDIOL, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | | 登録日 | 2021-02-02 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
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