1MJ5
| LINB (haloalkane dehalogenase) from sphingomonas paucimobilis UT26 at atomic resolution | Descriptor: | 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION | Authors: | Oakley, A.J, Damborsky, J, Wilce, M.C. | Deposit date: | 2002-08-27 | Release date: | 2003-08-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues. Biochemistry, 43, 2004
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4OM5
| Crystal structure of CTX A4 from Taiwan Cobra (Naja naja atra) | Descriptor: | Cytotoxin 4 | Authors: | Lin, C.C, Chang, C.I, Wu, W.G. | Deposit date: | 2014-01-26 | Release date: | 2014-06-11 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Endocytotic Routes of Cobra Cardiotoxins Depend on Spatial Distribution of Positively Charged and Hydrophobic Domains to Target Distinct Types of Sulfated Glycoconjugates on Cell Surface. J.Biol.Chem., 289, 2014
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1W84
| p38 Kinase crystal structure in complex with small molecule inhibitor | Descriptor: | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | Deposit date: | 2004-09-16 | Release date: | 2005-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation. J. Med. Chem., 48, 2005
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1W6Z
| High Energy Tetragonal Lysozyme X-ray Structure | Descriptor: | CHLORIDE ION, HOLMIUM (III) ATOM, LYSOZYME C | Authors: | Jakoncic, J, Aslantas, M, Honkimaki, V, Di Michiel, M, Stojanoff, V. | Deposit date: | 2004-08-25 | Release date: | 2004-11-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Anomalous Diffraction at Ultra-High Energy for Protein Crystallography. J.Appl.Crystallogr., 39, 2006
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6QH0
| The complex structure of hsRosR-S5 (VNG0258H/RosR-S5) | Descriptor: | DNA (28-MER), MANGANESE (II) ION, SULFATE ION, ... | Authors: | Shaanan, B, Kutnowski, N. | Deposit date: | 2019-01-14 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.436 Å) | Cite: | Specificity of protein-DNA interactions in hypersaline environment: structural studies on complexes of Halobacterium salinarum oxidative stress-dependent protein hsRosR. Nucleic Acids Res., 47, 2019
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4ONM
| Crystal structure of human Mms2/Ubc13 - NSC697923 | Descriptor: | 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran, GLYCEROL, Ubiquitin-conjugating enzyme E2 N, ... | Authors: | Hodge, C.D, Edwards, R.A, Glover, J.N.M. | Deposit date: | 2014-01-28 | Release date: | 2015-05-06 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting. Acs Chem.Biol., 10, 2015
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3UTQ
| Human HLA-A*0201-ALWGPDPAAA | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M. | Deposit date: | 2011-11-26 | Release date: | 2012-01-25 | Last modified: | 2012-03-07 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes. Nat.Immunol., 13, 2012
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1W5O
| Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C, D131C and D139C) | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D. | Deposit date: | 2004-08-09 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro J.Mol.Biol., 345, 2005
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6QIL
| The complex structure of hsRosR-S1 (VNG0258H/RosR-S1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (28-MER), DNA binding protein, ... | Authors: | Shaanan, B, Kutnowski, N. | Deposit date: | 2019-01-21 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specificity of protein-DNA interactions in hypersaline environment: structural studies on complexes of Halobacterium salinarum oxidative stress-dependent protein hsRosR. Nucleic Acids Res., 47, 2019
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2XXR
| Crystal structure of the GluK2 (GluR6) wild-type LBD dimer in complex with glutamate | Descriptor: | CHLORIDE ION, GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2010-11-11 | Release date: | 2011-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization J.Neurosci., 31, 2011
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6DXA
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1M7I
| CRYSTAL STRUCTURE OF A MONOCLONAL FAB SPECIFIC FOR SHIGELLA FLEXNERI Y LIPOPOLYSACCHARIDE COMPLEXED WITH A PENTASACCHARIDE | Descriptor: | alpha-L-rhamnopyranose-(1-2)-alpha-L-rhamnopyranose-(1-3)-alpha-L-rhamnopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-methyl 6-deoxy-alpha-L-rhamnopyranoside, heavy chain of the monoclonal antibody Fab SYA/J6, light chain of the monoclonal antibody Fab SYA/J6 | Authors: | Vyas, N.K, Vyas, M.N, Chervenak, M.C, Johnson, M.A, Pinto, B.M, Bundle, D.R, Quiocho, F.A. | Deposit date: | 2002-07-19 | Release date: | 2003-07-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Recognition of Oligosaccharide Epitopes by a Monoclonal Fab Specific for
Shigella flexneri Y Lipopolysaccharide: X-ray Structures and Thermodynamics Biochemistry, 41, 2002
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3UDH
| Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDQ
| Crystal Structure of BACE with Compound 13 | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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1MOQ
| ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSAMINE 6-PHOSPHATE | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, ... | Authors: | Teplyakov, A. | Deposit date: | 1997-04-11 | Release date: | 1998-10-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Involvement of the C terminus in intramolecular nitrogen channeling in glucosamine 6-phosphate synthase: evidence from a 1.6 A crystal structure of the isomerase domain. Structure, 6, 1998
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1W3D
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1WA6
| The structure of ACC oxidase | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, FE (II) ION, PHOSPHATE ION, ... | Authors: | Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J. | Deposit date: | 2004-10-25 | Release date: | 2005-10-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme) Chem.Biol., 11, 2004
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4OTI
| Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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3UDM
| Crystal Structure of BACE with Compound 8 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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2FVV
| Human Diphosphoinositol polyphosphate phosphohydrolase 1 | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Hallberg, B.M, Kursula, P, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-31 | Release date: | 2006-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of human diphosphoinositol phosphatase 1 Proteins, 77, 2009
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1WAM
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1W4J
| Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | Descriptor: | PYRUVATE DEHYDROGENASE E2 | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-fast barrier-limited folding in the peripheral subunit-binding domain family. J. Mol. Biol., 353, 2005
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1W7E
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6DI3
| CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | Descriptor: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | Authors: | GARDBERG, A. | Deposit date: | 2018-05-22 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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1W4Y
| Ferrous horseradish peroxidase C1A in complex with carbon monoxide | Descriptor: | CALCIUM ION, CARBON MONOXIDE, HORSERADISH PEROXIDASE C1A, ... | Authors: | Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J. | Deposit date: | 2004-08-03 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry, 44, 2005
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