7VTH
 
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 | | Descriptor: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase | | Authors: | Yamamoto, S, Tachibana, Y. | | Deposit date: | 2021-10-29 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
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4LL5
 | | Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 | | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ... | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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1C16
 | | CRYSTAL STRUCTURE ANALYSIS OF THE GAMMA/DELTA T CELL LIGAND T22 | | Descriptor: | MHC-LIKE PROTEIN T22, PROTEIN (BETA-2-MICROGLOBULIN) | | Authors: | Wingren, C, Crowley, M.P, Degano, M, Chien, Y, Wilson, I.A. | | Deposit date: | 1999-07-20 | | Release date: | 2000-01-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of a gammadelta T cell receptor ligand T22: a truncated MHC-like fold.
Science, 287, 2000
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4YTD
 | | Crystal structure of the C-terminal Coiled Coil of mouse Bicaudal D1 | | Descriptor: | PHOSPHATE ION, Protein bicaudal D homolog 1 | | Authors: | Terawaki, S, Yoshikane, A, Higuchi, Y, Wakamatsu, K. | | Deposit date: | 2015-03-17 | | Release date: | 2015-04-08 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for cargo binding and autoinhibition of Bicaudal-D1 by a parallel coiled-coil with homotypic registry
Biochem.Biophys.Res.Commun., 460, 2015
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4LUE
 | | Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002) | | Descriptor: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-25 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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3RHU
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | SC_1wnu | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-12 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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1Y7H
 | | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | | Descriptor: | THIOCYANATE ION, salicylic acid-binding protein 2 | | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-08 | | Release date: | 2004-12-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.Usa, 102, 2005
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3RI0
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | BB_2cx5_001, GLYCEROL, SULFATE ION | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-12 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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1Y7I
 | | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | | Descriptor: | 2-HYDROXYBENZOIC ACID, salicylic acid-binding protein 2 | | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-08 | | Release date: | 2004-12-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.USA, 102, 2005
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1DIZ
 | | CRYSTAL STRUCTURE OF E. COLI 3-METHYLADENINE DNA GLYCOSYLASE (ALKA) COMPLEXED WITH DNA | | Descriptor: | 3-METHYLADENINE DNA GLYCOSYLASE II, DNA (5'-D(*GP*AP*CP*AP*TP*GP*AP*(NRI)P*TP*GP*CP*CP*T)-3'), DNA (5'-D(*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*TP*CP*A)-3'), ... | | Authors: | Hollis, T, Ichikawa, Y, Ellenberger, T.E. | | Deposit date: | 1999-11-30 | | Release date: | 2000-03-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | DNA bending and a flip-out mechanism for base excision by the helix-hairpin-helix DNA glycosylase, Escherichia coli AlkA.
EMBO J., 19, 2000
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3RFN
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | BB_1wnu_001, ZINC ION | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-06 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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1F75
 | | CRYSTAL STRUCTURE OF UNDECAPRENYL DIPHOSPHATE SYNTHASE FROM MICROCOCCUS LUTEUS B-P 26 | | Descriptor: | SULFATE ION, UNDECAPRENYL PYROPHOSPHATE SYNTHETASE | | Authors: | Fujihashi, M, Zhang, Y.-W, Higuchi, Y, Li, X.-Y, Koyama, T, Miki, K. | | Deposit date: | 2000-06-26 | | Release date: | 2001-03-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of cis-prenyl chain elongating enzyme, undecaprenyl diphosphate synthase.
Proc.Natl.Acad.Sci.USA, 98, 2001
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3RIJ
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | GLYCEROL, SC_2cx5 | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-13 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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3QHE
 | | Crystal structure of the complex between the armadillo repeat domain of adenomatous polyposis coli and the tyrosine-rich domain of Sam68 | | Descriptor: | Adenomatous polyposis coli protein, KH domain-containing, RNA-binding, ... | | Authors: | Morishita, E.C.J, Murayama, K, Kato-Murayama, M, Ishizuku-Katsura, Y, Tomabechi, Y, Terada, T, Handa, N, Shirouzu, M, Akiyama, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-01-25 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of the armadillo repeat domain of adenomatous polyposis coli and its complex with the tyrosine-rich domain of sam68
Structure, 19, 2011
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4LUD
 | | Crystal Structure of HCK in complex with the fluorescent compound SKF86002 | | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-25 | | Release date: | 2014-02-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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7VXQ
 | | The Carbon Monoxide Complex of [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 | | Descriptor: | CARBON MONOXIDE, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Nishikawa, K, Higuchi, K, Imanishi, T, Higuchi, Y. | | Deposit date: | 2021-11-13 | | Release date: | 2022-02-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and spectroscopic characterization of CO inhibition of [NiFe]-hydrogenase from Citrobacter sp. S-77.
Acta Crystallogr.,Sect.F, 78, 2022
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3FDF
 | | Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Orthorhombic crystal form. Northeast Structural Genomics Consortium target FR253. | | Descriptor: | FR253 | | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Forouhar, F, Chinag, Y, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-11-25 | | Release date: | 2009-01-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Orthorombic crystal structure of serine phosphatase of rna polymerase ii ctd from fly drosofila melanogaster. northeast structural genomics consortium target fr253.
To be Published
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3FMV
 | | Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Monoclinic crystal form. Northeast Structural Genomics Consortium target FR253. | | Descriptor: | Serine phosphatase of RNA polymerase II CTD | | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Forouhar, F, Chinag, Y, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-12-22 | | Release date: | 2009-01-06 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Monoclinic crystal form. Northeast Structural Genomics Consortium target FR253.
To be Published
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5XVC
 | | [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in a ferricyanide-oxidized condition | | Descriptor: | DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, FE4-S4-O CLUSTER, ... | | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | | Deposit date: | 2017-06-27 | | Release date: | 2018-06-27 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2.
Chem.Commun.(Camb.), 54, 2018
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5XEC
 | | Heterodimer constructed from PA cyt c551-HT cyt c552 and HT cyt c552-PA cyt c551 chimeric proteins | | Descriptor: | Cytochrome c-551,Cytochrome c-552, Cytochrome c-552,Cytochrome c-551, HEME C | | Authors: | Zhang, M, Nakanishi, T, Yamanaka, M, Nagao, S, Yanagisawa, S, Shomura, Y, Shibata, N, Ogura, T, Higuchi, Y, Hirota, S. | | Deposit date: | 2017-04-04 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Rational Design of Domain-Swapping-Based c-Type Cytochrome Heterodimers by Using Chimeric Proteins.
Chembiochem, 18, 2017
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2E4I
 | | Human Telomeric DNA mixed-parallel/antiparallel quadruplex under Physiological Ionic Conditions Stabilized by Proper Incorporation of 8-Bromoguanosines | | Descriptor: | DNA (5'-D(*DAP*(BGM)P*DGP*DGP*DTP*DTP*DAP*(BGM)P*DGP*DGP*DTP*DTP*DAP*(BGM)P*(BGM)P*DGP*DTP*DTP*DAP*(BGM)P*DGP*DG)-3') | | Authors: | Matsugami, A, Xu, Y, Noguchi, Y, Sugiyama, H, Katahira, M. | | Deposit date: | 2006-12-11 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of a human telomeric DNA sequence stabilized by 8-bromoguanosine substitutions, as determined by NMR in a K+ solution
Febs J., 274, 2007
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7WAF
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS and 4x(beta-Asp-Arg) | | Descriptor: | 4x(beta-Asp-Arg), ARGININE, Cyanophycin synthase, ... | | Authors: | Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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7WAC
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) | | Descriptor: | Cyanophycin synthase | | Authors: | Kawasaki, M, Miyakawa, T, Yang, J, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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7WAD
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS | | Descriptor: | Cyanophycin synthase, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Kawasaki, M, Miyakawa, T, Yang, J, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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7WAE
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS, 4x(beta-Asp-Arg), and aspartate | | Descriptor: | 4x(beta-Asp-Arg), ARGININE, ASPARTIC ACID, ... | | Authors: | Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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