3UMG
 
 | | Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Rha0230 | | Descriptor: | CHLORIDE ION, Haloacid dehalogenase | | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-11-13 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
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3UT3
 | | A novel PAI-I inhibitor and its structural mechanism | | Descriptor: | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione, Plasminogen activator inhibitor 1 | | Authors: | Lin, Z.H, Hong, Z.B, Shi, X.L, Hu, L.H, Andreasen, P.A, Huang, M.D. | | Deposit date: | 2011-11-25 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | A novel PAI-I inhibitor and its structural mechanism
To be Published
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3UTM
 | | Crystal structure of a mouse Tankyrase-Axin complex | | Descriptor: | Axin-1, Tankyrase-1 | | Authors: | Cheng, Z, Morrone, S, Xu, W. | | Deposit date: | 2011-11-26 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a Tankyrase-Axin complex and its implications for Axin turnover and Tankyrase substrate recruitment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UTN
 | | Crystal structure of Tum1 protein from Saccharomyces cerevisiae | | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Thiosulfate sulfurtransferase TUM1 | | Authors: | Qiu, R, Wang, F, Liu, M, Ji, C, Gong, W. | | Deposit date: | 2011-11-26 | | Release date: | 2012-10-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the Tum1 protein from the yeast Saccharomyces cerevisiae.
Protein Pept.Lett., 19, 2012
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3UTT
 | | 1E6-A*0201-ALWGPDPAAA Complex, Triclinic | | Descriptor: | 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, Beta-2-microglobulin, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M, Rossjohn, J, Gras, S. | | Deposit date: | 2011-11-26 | | Release date: | 2012-01-25 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.6 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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3UUX
 | | Crystal structure of yeast Fis1 in complex with Mdv1 fragment containing N-terminal extension and coiled coil domains | | Descriptor: | Mitochondria fission 1 protein, Mitochondrial division protein 1 | | Authors: | Zhang, Y, Chan, N.C, Gristick, H, Chan, D.C. | | Deposit date: | 2011-11-28 | | Release date: | 2012-02-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of mitochondrial fission complex reveals scaffolding function for mitochondrial division 1 (mdv1) coiled coil.
J.Biol.Chem., 287, 2012
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3UWC
 | | Structure of an aminotransferase (DegT-DnrJ-EryC1-StrS family) from Coxiella burnetii in complex with PMP | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-12-01 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3UZQ
 | | Crystal structure of the dengue virus serotype 1 envelope protein domain III in complex with the variable domains of Mab 4E11 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Cockburn, J.J.B, Navarro Sanchez, M.E, Fretes, N, Urvoas, A, Staropoli, I, Kikuti, C.M, Coffey, L.L, Arenzana Seisdedos, F, Bedouelle, H, Rey, F.A. | | Deposit date: | 2011-12-07 | | Release date: | 2012-02-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mechanism of dengue virus broad cross-neutralization by a monoclonal antibody.
Structure, 20, 2012
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3UX2
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3UXH
 | | Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of Quinone Reductase 2 | | Descriptor: | 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Cushman, M, Mesecar, A.D, Fanwick, P.E, Narasimha, R, Jensen, K.C. | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55, 2012
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3V0W
 | | Crystal structure of Fab WN1 222-5 in complex with LPS | | Descriptor: | 2-amino-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-glucopyranose-(1-2)-alpha-D-glucopyranose-(1-3)-[alpha-D-galactopyranose-(1-6)]alpha-D-glucopyranose-(1-3)-[L-glycero-alpha-D-manno-heptopyranose-(1-7)]4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose-(1-3)-4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose-(1-5)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, SULFATE ION, WN1 222-5 Fab (IgG2a) heavy chain, ... | | Authors: | Gomery, K, Evans, S.V. | | Deposit date: | 2011-12-08 | | Release date: | 2012-12-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Antibody WN1 222-5 mimics Toll-like receptor 4 binding in the recognition of LPS.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3V1L
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3SBW
 | | Crystal structure of the complex between the extracellular domains of mouse PD-1 mutant and human PD-L1 | | Descriptor: | Programmed cell death 1 ligand 1, Programmed cell death protein 1 | | Authors: | Lazar-Molnar, E, Ramagopal, U.A, Cao, E, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2011-06-06 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of the complex between the extracellular domains of mouse PD-1 mutant and human PD-L1
To be published
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3SCY
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3SL8
 | | Crystal structure of the catalytic domain of PDE4D2 with compound 10o | | Descriptor: | 1,2-ETHANEDIOL, 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Feil, S.F. | | Deposit date: | 2011-06-24 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
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3SLO
 | | Pre-cleavage Structure of the Autotransporter EspP - N1023D mutant | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP | | Authors: | Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K. | | Deposit date: | 2011-06-24 | | Release date: | 2011-11-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter.
J.Mol.Biol., 415, 2012
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3SDX
 | | Crystal structure of human autoreactive-Valpha24 NKT TCR in complex with CD1d-beta-galactosylceramide | | Descriptor: | Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide, ... | | Authors: | Clarke, A.J, Patel, O, Rossjohn, J. | | Deposit date: | 2011-06-09 | | Release date: | 2011-10-05 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Recognition of beta-linked self glycolipids mediated by natural killer T cell antigen receptors
Nat.Immunol., 12, 2011
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3SMO
 | | Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin J aglycone | | Descriptor: | 14-3-3 protein sigma, Fusicoccin J aglycone, MAGNESIUM ION, ... | | Authors: | Anders, C, Schumacher, B, Ottmann, C. | | Deposit date: | 2011-06-28 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
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3SN5
 | | Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one | | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one
To be Published
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3S11
 | | Crystal structure of H5N1 influenza virus hemagglutinin, strain 437-10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J. | | Deposit date: | 2011-05-14 | | Release date: | 2011-12-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
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3S1V
 | | Transaldolase from Thermoplasma acidophilum in complex with D-fructose 6-phosphate Schiff-base intermediate | | Descriptor: | FRUCTOSE -6-PHOSPHATE, GLYCEROL, Probable transaldolase | | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | | Deposit date: | 2011-05-16 | | Release date: | 2011-08-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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3S2E
 | | Crystal Structure of FurX NADH Complex 1 | | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.763 Å) | | Cite: | Crystal Structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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3S3D
 | | Structure of Thermus thermophilus cytochrome ba3 oxidase 480s after Xe depressurization | | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | | Deposit date: | 2011-05-18 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase.
Biochemistry, 51, 2012
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3S3U
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3SGM
 | | Bromoderivative-2 of amyloid-related segment of alphaB-crystallin residues 90-100 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain | | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2011-06-15 | | Release date: | 2012-03-21 | | Method: | X-RAY DIFFRACTION (1.7006 Å) | | Cite: | Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
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