3O6G
 
 | | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 2, ... | | Authors: | Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | | Deposit date: | 2010-07-29 | | Release date: | 2010-09-15 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
1T9D
 | | Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Metsulfuron methyl | | Descriptor: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, Acetolactate synthase, mitochondrial, ... | | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | | Deposit date: | 2004-05-16 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
|
|
4KC2
 | | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | | Descriptor: | 6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase soluble form, MANGANESE (II) ION, ... | | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | | Deposit date: | 2013-04-24 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
|
|
3OV6
 | | CD1c in complex with MPM (mannosyl-beta1-phosphomycoketide) | | Descriptor: | 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | Authors: | Scharf, L, Li, N.S, Hawk, A.J, Garzon, D, Zhang, T, Kazen, A.R, Shah, S, Haddadian, E.J, Saghatelian, A, Faraldo-Gomez, J.D, Meredith, S.C, Piccirilli, J.A, Adams, E.J. | | Deposit date: | 2010-09-15 | | Release date: | 2011-01-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | The 2.5 A structure of CD1c in complex with a mycobacterial lipid reveals an open groove ideally suited for diverse antigen presentation
Immunity, 33, 2010
|
|
1T1F
 | | Crystal Structure of Native Antithrombin in its Monomeric Form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, GLYCEROL, ... | | Authors: | Johnson, D.J.D, Huntington, J.A. | | Deposit date: | 2004-04-16 | | Release date: | 2005-10-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation
J.Biol.Chem., 281, 2006
|
|
3P2Q
 | | Crystal structure of the fluoroacetyl-CoA-specific thioesterase, FlK | | Descriptor: | Fluoroacetyl coenzyme A thioesterase | | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | | Deposit date: | 2010-10-03 | | Release date: | 2010-10-20 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
|
|
1PU0
 | | Structure of Human Cu,Zn Superoxide Dismutase | | Descriptor: | COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A. | | Deposit date: | 2003-06-23 | | Release date: | 2003-09-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
|
|
3P93
 | | Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate | | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, D-MANNONIC ACID, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-15 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM CHROMOHALOBACTER SALEXIGENS complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate
To be Published
|
|
3P3F
 | | Crystal structure of the F36A mutant of the fluoroacetyl-CoA-specific thioesterase FlK | | Descriptor: | Fluoroacetyl coenzyme A thioesterase | | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | | Deposit date: | 2010-10-04 | | Release date: | 2010-10-20 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
|
|
1PZN
 | | Rad51 (RadA) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA repair and recombination protein rad51, GLYCEROL, ... | | Authors: | Shin, D.S, Tainer, J.A. | | Deposit date: | 2003-07-12 | | Release date: | 2003-09-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Full-length archaeal Rad51 structure and mutants: Mechanisms for RAD51 assembly and control by BRCA2
Embo J., 22, 2003
|
|
1PKH
 | | STRUCTURAL BASIS FOR RECOGNITION AND CATALYSIS BY THE BIFUNCTIONAL DCTP DEAMINASE AND DUTPASE FROM METHANOCOCCUS JANNASCHII | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional deaminase/diphosphatase | | Authors: | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | | Deposit date: | 2003-06-05 | | Release date: | 2003-08-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii
J.Mol.Biol., 331, 2003
|
|
3OWX
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | Descriptor: | 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | | Deposit date: | 2010-09-20 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
|
|
1Q4L
 | | GSK-3 Beta complexed with Inhibitor I-5 | | Descriptor: | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | | Deposit date: | 2003-08-04 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
|
|
1PKJ
 | | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional deaminase/diphosphatase, DEOXYURIDINE-5'-TRIPHOSPHATE | | Authors: | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | | Deposit date: | 2003-06-05 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii
J.Mol.Biol., 331, 2003
|
|
1PL4
 | | Crystal Structure of human MnSOD Y166F mutant | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Fan, L, Tainer, J.A. | | Deposit date: | 2003-06-06 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Amino acid substitution at the dimeric interface of human manganese superoxide dismutase
J.Biol.Chem., 279, 2004
|
|
3RR1
 | | Crystal structure of enolase PRK14017 (target EFI-500653) from Ralstonia pickettii 12J | | Descriptor: | CHLORIDE ION, D-MALATE, Putative D-galactonate dehydratase | | Authors: | Patskovsky, Y, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-04-28 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of enolase PRK14017 from Ralstonia pickettii
To be Published
|
|
4KUX
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP) | | Descriptor: | Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-22 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
|
|
3R10
 | | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg complex | | Descriptor: | Enzyme of enolase superfamily, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-03-09 | | Release date: | 2011-04-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4KVY
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-23 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
|
|
4L0N
 | | Crystal structure of STK3 (MST2) SARAH domain | | Descriptor: | Serine/threonine-protein kinase 3 | | Authors: | Chaikuad, A, Krojer, T, Newman, J.A, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-05-31 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of STK3 (MST2) SARAH domain
To be Published
|
|
1Q2Z
 | | The 3D solution structure of the C-terminal region of Ku86 | | Descriptor: | ATP-dependent DNA helicase II, 80 kDa subunit | | Authors: | Harris, R, Esposito, D, Sankar, A, Maman, J.D, Hinks, J.A, Pearl, L.H, Driscoll, P.C. | | Deposit date: | 2003-07-28 | | Release date: | 2004-01-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The 3D Solution Structure of the C-terminal Region of Ku86 (Ku86CTR)
J.Mol.Biol., 335, 2004
|
|
1QO5
 | |
4LEE
 | | Structure of the Als3 adhesin from Candida albicans, residues 1-313 (mature sequence), triple mutant in the binding cavity: K59M, A116V, Y301F | | Descriptor: | Agglutinin-like protein 3 | | Authors: | Lin, J, Garnett, J.A, Cota, E. | | Deposit date: | 2013-06-25 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Peptide-binding Cavity Is Essential for Als3-mediated Adhesion of Candida albicans to Human Cells.
J.Biol.Chem., 289, 2014
|
|
1QVL
 | | Structure of the antimicrobial hexapeptide cyc-(RRWWRF) bound to SDS micelles | | Descriptor: | c-RW | | Authors: | Appelt, C, Soderhall, J.A, Bienert, M, Dathe, M, Schmieder, P. | | Deposit date: | 2003-08-28 | | Release date: | 2004-09-28 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of the Antimicrobial, Cationic Hexapeptide Cyclo(RRWWRF) and Its Analogues in Solution and Bound to Detergent Micelles
Chembiochem, 6, 2005
|
|
4L9S
 | | Crystal Structure of H-Ras G12C, GDP-bound | | Descriptor: | CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-06-18 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
|
|
