5DQC
 
 | | Co-crystal of BACE1 with compound 0211 | | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-17 | | Last modified: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.4651 Å) | | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
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6HVK
 | | Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor | | Descriptor: | Urotensin-2 receptor | | Authors: | Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D. | | Deposit date: | 2018-10-11 | | Release date: | 2019-10-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
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7DH8
 | | Crystal structure of holo XcZur | | Descriptor: | Transcriptional regulator fur family, ZINC ION | | Authors: | Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H. | | Deposit date: | 2020-11-13 | | Release date: | 2021-06-09 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
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1XF3
 | | Structure of ligand-free Fab DNA-1 in space group P65 | | Descriptor: | Fab Light chain, Fab heavy chain | | Authors: | Schuermann, J.P, Prewitt, S.P, Deutscher, S.L, Tanner, J.J. | | Deposit date: | 2004-09-13 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evidence for Structural Plasticity of Heavy Chain Complementarity-determining Region 3 in Antibody-ssDNA Recognition
J.Mol.Biol., 347, 2005
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1XF4
 | | Structure of ligand-free Fab DNA-1 in space group P321 solved from crystals with perfect hemihedral twinning | | Descriptor: | Fab heavy chain, Fab light chain, SULFATE ION | | Authors: | Schuermann, J.P, Prewitt, S.P, Deutscher, S.L, Tanner, J.J. | | Deposit date: | 2004-09-13 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evidence for Structural Plasticity of Heavy Chain Complementarity-determining Region 3 in Antibody-ssDNA Recognition
J.Mol.Biol., 347, 2005
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3OCZ
 | | Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase Complexed with the inhibitor adenosine 5-O-thiomonophosphate | | Descriptor: | ADENOSINE -5'-THIO-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | | Authors: | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | | Deposit date: | 2010-08-10 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural basis of the inhibition of class C acid phosphatases by adenosine 5'-phosphorothioate.
Febs J., 278, 2011
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7XHS
 | | Crystal structure of CipA crystal produced by cell-free protein synthesis | | Descriptor: | Cro/Cl family transcriptional regulator | | Authors: | Abe, S, Tanaka, J, Kojima, M, Kanamaru, S, Yamashita, K, Hirata, K, Ueno, T. | | Deposit date: | 2022-04-10 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Cell-free protein crystallization for nanocrystal structure determination.
Sci Rep, 12, 2022
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7XHR
 | | Crystal structure of Wild Type Cypovirus Polyhedra produced by cell-free protein synthesis | | Descriptor: | ACETYL GROUP, CHLORIDE ION, Polyhedrin | | Authors: | Abe, S, Tanaka, J, Kojima, M, Hirata, K, Yamashita, K, Ueno, T. | | Deposit date: | 2022-04-10 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Cell-free protein crystallization for nanocrystal structure determination.
Sci Rep, 12, 2022
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2A3P
 | | Structure of Desulfovibrio desulfuricans G20 tetraheme cytochrome with bound molybdate | | Descriptor: | COG3005: Nitrate/TMAO reductases, membrane-bound tetraheme cytochrome c subunit, HEME C, ... | | Authors: | Pattarkine, M.V, Lee, Y.-H, Tanner, J.J, Wall, J.D. | | Deposit date: | 2005-06-25 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Desulfovibrio desulfuricans G20 Tetraheme Cytochrome Structure at 1.5A and Cytochrome Interaction with Metal Complexes
J.Mol.Biol., 358, 2006
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2A3M
 | | Structure of Desulfovibrio desulfuricans G20 tetraheme cytochrome (oxidized form) | | Descriptor: | COG3005: Nitrate/TMAO reductases, membrane-bound tetraheme cytochrome c subunit, HEME C | | Authors: | Pattarkine, M.V, Tanner, J.J, Bottoms, C.A, Lee, Y.H, Wall, J.D. | | Deposit date: | 2005-06-25 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Desulfovibrio desulfuricans G20 Tetraheme Cytochrome Structure at 1.5A and Cytochrome Interaction with Metal Complexes
J.Mol.Biol., 358, 2006
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1XF2
 | | Structure of Fab DNA-1 complexed with dT3 | | Descriptor: | 5'-D(*TP*TP*T)-3', SULFATE ION, antibody heavy chain Fab, ... | | Authors: | Schuermann, J.P, Prewitt, S.P, Deutscher, S.L, Tanner, J.J. | | Deposit date: | 2004-09-13 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evidence for Structural Plasticity of Heavy Chain Complementarity-determining Region 3 in Antibody-ssDNA Recognition
J.Mol.Biol., 347, 2005
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3PDK
 | | crystal structure of phosphoglucosamine mutase from B. anthracis | | Descriptor: | PHOSPHATE ION, Phosphoglucosamine mutase | | Authors: | Mehra-Chaudhary, R, Mick, J, Tanner, J.J, Henzl, M, Beamer, L.J. | | Deposit date: | 2010-10-22 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Bacillus anthracis Phosphoglucosamine Mutase, an Enzyme in the Peptidoglycan Biosynthetic Pathway.
J.Bacteriol., 193, 2011
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3PCT
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3ETA
 | | Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | | Descriptor: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | | Authors: | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | | Deposit date: | 2008-10-07 | | Release date: | 2009-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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1DDJ
 | | CRYSTAL STRUCTURE OF HUMAN PLASMINOGEN CATALYTIC DOMAIN | | Descriptor: | PLASMINOGEN | | Authors: | Wang, X, Terzyan, S, Tang, J, Loy, J, Lin, X, Zhang, X. | | Deposit date: | 1999-11-10 | | Release date: | 2000-02-18 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human plasminogen catalytic domain undergoes an unusual conformational change upon activation.
J.Mol.Biol., 295, 2000
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4GID
 | | Structure of beta-secretase complexed with inhibitor | | Descriptor: | Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
J.Med.Chem., 55, 2012
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4DDR
 | | Human dihydrofolate reductase complexed with NADPH and P218 | | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | Deposit date: | 2012-01-19 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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2JMJ
 | | NMR solution structure of the PHD domain from the yeast YNG1 protein in complex with H3(1-9)K4me3 peptide | | Descriptor: | Histone H3, Protein YNG1, ZINC ION | | Authors: | Ilin, S, Taverna, S.D, Rogers, R.S, Tanny, J.C, Lavender, H, Li, H, Baker, L, Boyle, J, Blair, L.P, Chait, B.T, Patel, D.J, Aitchison, J.D, Tackett, A.J, Allis, C.D. | | Deposit date: | 2006-11-15 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Yng1 PHD finger binding to H3 trimethylated at K4 promotes NuA3 HAT activity at K14 of H3 and transcription at a subset of targeted ORFs
Mol.Cell, 24, 2006
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4IID
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with 1-deoxynojirimycin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-DEOXYNOJIRIMYCIN, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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4IIG
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with D-glucose | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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1OXZ
 | | Crystal Structure of the Human GGA1 GAT domain | | Descriptor: | ADP-ribosylation factor binding protein GGA1 | | Authors: | Zhu, G, Zhai, P, He, X, Terzyan, S, Zhang, R, Joachimiak, A, Tang, J, Zhang, X.C. | | Deposit date: | 2003-04-03 | | Release date: | 2003-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Human GGA1 GAT Domain
Biochemistry, 42, 2003
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4IIF
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with castanospermine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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4IIH
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with thiocellobiose | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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4IIB
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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4IIC
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with isofagomine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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