4QAC
| X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ... | 著者 | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | 登録日 | 2014-05-03 | 公開日 | 2014-07-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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6GNA
| Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.3 A resolution | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Buey, R.M, Fernandez-Justel, D, Balsera, M. | 登録日 | 2018-05-30 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.295 Å) | 主引用文献 | Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5RFO
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972 | 分子名称: | 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RG3
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-18 | 公開日 | 2020-04-15 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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1KL6
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5RHB
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097) | 分子名称: | (E)-1-(pyrimidin-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-16 | 公開日 | 2020-06-10 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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1KLL
| Molecular basis of mitomycin C resictance in streptomyces: Crystal structures of the MRD protein with and without a drug derivative | 分子名称: | 1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSENE, mitomycin-binding protein | 著者 | Martin, T.W, Dauter, Z, Devedjiev, Y, Sheffield, P, Jelen, F, He, M, Sherman, D, Otlewski, J, Derewenda, Z.S, Derewenda, U. | 登録日 | 2001-12-12 | 公開日 | 2002-07-19 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Molecular basis of mitomycin C resistance in streptomyces: structure and function of the MRD protein. Structure, 10, 2002
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6GY3
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1KFE
| CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH L-Ser Bound To The Beta Site | 分子名称: | SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, TRYPTOPHAN SYNTHASE BETA CHAIN, ... | 著者 | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | 登録日 | 2001-11-20 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | On the Role of AlphaTHR183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase J.Mol.Biol., 324, 2002
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4Q71
| Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779W | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ... | 著者 | Tanner, J.J, Luo, M, Pemberton, T.A. | 登録日 | 2014-04-23 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A. Biochemistry, 53, 2014
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6GYF
| Crystal structure of NadR protein in complex with NR | 分子名称: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, ... | 著者 | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | 登録日 | 2018-06-29 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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6ISF
| Structure of 9N-I DNA polymerase incorporation with dT in the active site | 分子名称: | CALCIUM ION, DNA (5'-D(*AP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), DNA (5'-D(P*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*CP*T)-3'), ... | 著者 | Linwu, S.W, Maestre-Reyna, M, Tsai, M.D, Tu, Y.H, Chang, W.H. | 登録日 | 2018-11-16 | 公開日 | 2019-08-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Thermococcus sp. 9°N DNA polymerase exhibits 3'-esterase activity that can be harnessed for DNA sequencing. Commun Biol, 2, 2019
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6GOZ
| Structure of mEos4b in the green long-lived dark state | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D. | 登録日 | 2018-06-04 | 公開日 | 2019-11-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | 主引用文献 | Mechanistic Investigations of Green mEos4b Reveal a Dynamic Long-Lived Dark State. J.Am.Chem.Soc., 2020
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4QD3
| Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with 5-azacytidine at 1.89 Angstrom resolution | 分子名称: | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one, GLYCEROL, Peptidyl-tRNA hydrolase | 著者 | Singh, A, Gautam, L, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2014-05-13 | 公開日 | 2014-06-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural and binding studies of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa provide a platform for the structure-based inhibitor design against peptidyl-tRNA hydrolase Biochem.J., 463, 2014
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6GYO
| Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel in complex with cAMP | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | 著者 | Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-30 | 公開日 | 2019-05-01 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel To Be Published
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6GP4
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A | 分子名称: | CHLORIDE ION, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | 登録日 | 2018-06-05 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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4Q8W
| tRNA-Guanine Transglycosylase (TGT) in Complex with 4-[2-({6-Amino-8-oxo-1H,7H,8H-imidazo[4,5-g]quinazolin-2-yl}amino)ethyl]benzoic acid | 分子名称: | 4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | 著者 | Neeb, M, Heine, A, Klebe, G. | 登録日 | 2014-04-28 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines To be Published
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4JXN
| CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE ISP_B (TARGET EFI-509198) FROM Roseobacter denitrificans | 分子名称: | CHLORIDE ION, Octaprenyl-diphosphate synthase, UNKNOWN LIGAND | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-03-28 | 公開日 | 2013-05-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of Isoprenoid Synthase Isp_B from Roseobacter Denitrificans To be Published
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3DHN
| Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR310. | 分子名称: | NAD-dependent epimerase/dehydratase | 著者 | Vorobiev, S.M, Su, M, Seetharaman, J, Wang, D, Ciccosanti, C, Foote, L.E, Janjua, H, Xiao, R, Acton, T, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2008-06-18 | 公開日 | 2008-08-12 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron. To be Published
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6GPP
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | 登録日 | 2018-06-06 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6GZ2
| Crystal Structure of the LeuO Effector Binding Domain | 分子名称: | HTH-type transcriptional regulator LeuO, MALONATE ION | 著者 | Fragel, S, Montada, A.M, Baumann, U, Schacherl, M, Schnetz, K. | 登録日 | 2018-07-02 | 公開日 | 2019-06-05 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Characterization of the pleiotropic LysR-type transcription regulator LeuO of Escherichia coli. Nucleic Acids Res., 47, 2019
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3RNO
| Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with NADP. | 分子名称: | Apolipoprotein A-I-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W. | 登録日 | 2011-04-22 | 公開日 | 2012-05-09 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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6GQ2
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3DHT
| The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin | 分子名称: | Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Neelagandan, K, Sathya Moorthy, P, Balasubramanian, M, Sundaresan, S, Ponnuswamy, M.N. | 登録日 | 2008-06-18 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin To be Published
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6U3T
| Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | 分子名称: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | 著者 | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | 登録日 | 2019-08-22 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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