3V19
 
 | | Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | | Authors: | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | | Deposit date: | 2011-12-09 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health
To be Published
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1UKG
 | | Pterocarps angolensis lectin PAL in complex with methyl-alpha-mannose | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, lectin, ... | | Authors: | Loris, R, Van Walle, I, De Greve, H, Beeckmans, S, Deboeck, F, Wyns, L, Bouckaert, J. | | Deposit date: | 2003-08-21 | | Release date: | 2004-02-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
J.Mol.Biol., 335, 2004
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3V2N
 | | COMPcc in complex with fatty acids | | Descriptor: | Cartilage Oligomerization matrix protein (coiled-coil domain), MYRISTIC ACID | | Authors: | Stetefeld, J. | | Deposit date: | 2011-12-12 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The pentameric channel of COMPcc in complex with different fatty acids.
Plos One, 7, 2012
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3V32
 | | Crystal structure of MCPIP1 N-terminal conserved domain | | Descriptor: | Ribonuclease ZC3H12A | | Authors: | Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z. | | Deposit date: | 2011-12-12 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
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3IWW
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3IXJ
 | | Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor | | Descriptor: | Beta-secretase 1, N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE, SULFATE ION | | Authors: | Borkakoti, N, Lindberg, J, Nystrom, S. | | Deposit date: | 2009-09-04 | | Release date: | 2010-03-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and Synthesis of Potent and Selective BACE-1 Inhibitors.
J.Med.Chem., 53, 2010
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3UUO
 | | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | | Deposit date: | 2011-11-28 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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3V71
 | | Crystal structure of PUF-6 in complex with 5BE13 RNA | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Puf (Pumilio/fbf) domain-containing protein 7, confirmed by transcript evidence, ... | | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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3UW6
 | | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR120 | | Descriptor: | Alanine racemase | | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-11-30 | | Release date: | 2012-02-08 | | Last modified: | 2022-03-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
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3IYY
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3IZG
 | | Bacteriophage T7 prohead shell EM-derived atomic model | | Descriptor: | Major capsid protein 10A | | Authors: | Ionel, A, Velazquez-Muriel, J.A, Agirrezabala, X, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L. | | Deposit date: | 2010-10-27 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (10.9 Å) | | Cite: | Molecular rearrangements involved in the capsid shell maturation of bacteriophage T7.
J.Biol.Chem., 286, 2011
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3IZX
 | | 3.1 Angstrom cryoEM structure of cytoplasmic polyhedrosis virus | | Descriptor: | Capsid protein VP1, Structural protein VP3, Viral structural protein 5 | | Authors: | Yu, X, Ge, P, Jiang, J, Atanasov, I, Zhou, Z.H. | | Deposit date: | 2011-01-15 | | Release date: | 2011-06-22 | | Last modified: | 2018-08-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Atomic Model of CPV Reveals the Mechanism Used by This Single-Shelled Virus to Economically Carry Out Functions Conserved in Multishelled Reoviruses.
Structure, 19, 2011
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3UXO
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3IZP
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3V2Q
 | | COMPcc in complex with fatty acids | | Descriptor: | Cartilage Oligomerization matrix protein (coiled-coil domain), PALMITIC ACID | | Authors: | Stetefeld, J. | | Deposit date: | 2011-12-12 | | Release date: | 2013-01-16 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The pentameric channel of COMPcc in complex with different fatty acids.
Plos One, 7, 2012
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1NRX
 | | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD | | Descriptor: | 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2003-01-26 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
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3UPD
 | | 2.9 Angstrom Crystal Structure of Ornithine Carbamoyltransferase (ArgF) from Vibrio vulnificus | | Descriptor: | Ornithine carbamoyltransferase | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Winsor, J, Dubrovska, I, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-11-17 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | 2.9 Angstrom Crystal Structure of Ornithine Carbamoyltransferase (ArgF) from Vibrio vulnificus.
TO BE PUBLISHED
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3KFK
 | | Crystal structures of a group II chaperonin from Methanococcus maripaludis | | Descriptor: | Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | | Deposit date: | 2009-10-27 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (6.003 Å) | | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
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1NUA
 | | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ | | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION | | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2003-01-31 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
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4AA7
 | | E.coli GlmU in complex with an antibacterial inhibitor | | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION | | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | | Deposit date: | 2011-11-30 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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4AAW
 | | S.pneumoniae GlmU in complex with an antibacterial inhibitor | | Descriptor: | 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION | | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | | Deposit date: | 2011-12-05 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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4AEN
 | | HLA-DR1 with covalently linked CLIP106-120 in reversed orientation | | Descriptor: | GLYCEROL, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN GAMMA CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Schlundt, A, Guenther, S, Sticht, J, Wieczorek, M, Roske, Y, Heinemann, U, Freund, C. | | Deposit date: | 2012-01-11 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex.
J.Mol.Biol., 423, 2012
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4NHB
 | | Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate | | Descriptor: | IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-11-04 | | Release date: | 2013-11-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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1V0K
 | | Xylanase Xyn10A from Streptomyces lividans in complex with xylobio-deoxynojirimycin at pH 5.8 | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, PIPERIDINE-3,4,5-TRIOL, beta-D-xylopyranose | | Authors: | Gloster, T.M, Williams, S.J, Roberts, S, Tarling, C.A, Wicki S, J, Withers, G, Davies, G.J. | | Deposit date: | 2004-03-31 | | Release date: | 2004-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Atomic Resolution Analyses of the Binding of Xylobiose-Derived Deoxynojirimycin and Isofagomine to Xylanase Xyn10A
Chem.Commun.(Camb.), 16, 2004
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1NVA
 | | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and ADP | | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2003-02-03 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
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