1XMT
 
 | | X-ray structure of gene product from arabidopsis thaliana at1g77540 | | Descriptor: | BROMIDE ION, putative acetyltransferase | | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2004-10-04 | | Release date: | 2004-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family.
Biochemistry, 45, 2006
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3M5M
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3M7T
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6V5D
 | | EROS3 RDC and NOE Derived Ubiquitin Ensemble | | Descriptor: | Ubiquitin | | Authors: | Lange, O.F, Lakomek, N.A, Smith, C.A, Griesinger, C, de Groot, B.L. | | Deposit date: | 2019-12-04 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Enhancing NMR derived ensembles with kinetics on multiple timescales.
J.Biomol.Nmr, 74, 2020
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3QXA
 | | HLA-DR1 bound with CLIP peptide | | Descriptor: | HLA class II histocompatibility antigen gamma chain peptide, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Painter, C.A, Stern, L.J. | | Deposit date: | 2011-03-01 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.712 Å) | | Cite: | Conformational lability in the class II MHC 310 helix and adjacent extended strand dictate HLA-DM susceptibility and peptide exchange.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3MGQ
 | | Binding of Nickel ions to the Nucleosome Core Particle | | Descriptor: | CHLORIDE ION, DNA (147-MER), Histone H2A, ... | | Authors: | Mohideen, K, Muhammad, R, Davey, C.A. | | Deposit date: | 2010-04-07 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Perturbations in nucleosome structure from heavy metal association.
Nucleic Acids Res., 38, 2010
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1YP7
 | | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | | Descriptor: | CADMIUM ION, MAJOR URINARY PROTEIN 1 | | Authors: | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | | Deposit date: | 2005-01-30 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water
J.Am.Chem.Soc., 127, 2005
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3MNN
 | | A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core | | Descriptor: | 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ... | | Authors: | Ong, M.S, Davey, C.A. | | Deposit date: | 2010-04-22 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Chemistry, 17, 2011
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3RC4
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7OCY
 | | Enterococcus faecalis EfrCD in complex with a nanobody | | Descriptor: | ABC transporter ATP-binding protein, Nanobody | | Authors: | Ehrenbolger, K, Hutter, C.A.J, Meier, G, Seeger, M.A, Barandun, J. | | Deposit date: | 2021-04-28 | | Release date: | 2022-05-18 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Deep mutational scan of a drug efflux pump reveals its structure-function landscape.
Nat.Chem.Biol., 19, 2023
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1YGU
 | | Crystal structure of the tandem phosphatase domains of RPTP CD45 with a pTyr peptide | | Descriptor: | Leukocyte common antigen, Polyoma Middle T antigen | | Authors: | Nam, H, Poy, F, Saito, H, Frederick, C.A. | | Deposit date: | 2005-01-05 | | Release date: | 2005-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the function and regulation of the receptor protein tyrosine phosphatase CD45.
J.Exp.Med., 201, 2005
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3REH
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3RKI
 | | Structural basis for immunization with post-fusion RSV F to elicit high neutralizing antibody titers | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | | Authors: | Swanson, K.A, Settembre, E.C, Shaw, C.A, Dey, A.K, Rappuoli, R, Mandl, C.W, Dormitzer, P.D, Carfi, A. | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for immunization with postfusion respiratory syncytial virus fusion F glycoprotein (RSV F) to elicit high neutralizing antibody titers.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6V52
 | | IDO1 IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | | Deposit date: | 2019-12-03 | | Release date: | 2020-04-08 | | Last modified: | 2020-04-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
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6V0R
 | | BG505 SOSIP.664 Trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nogal, B, Cottrell, C.A, Ward, A.B. | | Deposit date: | 2019-11-19 | | Release date: | 2020-04-01 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Mapping Polyclonal Antibody Responses in Non-human Primates Vaccinated with HIV Env Trimer Subunit Vaccines.
Cell Rep, 30, 2020
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1YJ5
 | | Molecular architecture of mammalian polynucleotide kinase, a DNA repair enzyme | | Descriptor: | 5' polynucleotide kinase-3' phosphatase FHA domain, 5' polynucleotide kinase-3' phosphatase catalytic domain, SULFATE ION | | Authors: | Bernstein, N.K, Williams, R.S, Rakovszky, M.L, Cui, D, Green, R, Karimi-Busheri, F, Mani, R.S, Galicia, S, Koch, C.A, Cass, C.E, Durocher, D, Weinfeld, M, Glover, J.N.M. | | Deposit date: | 2005-01-13 | | Release date: | 2005-03-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The molecular architecture of the mammalian DNA repair enzyme, polynucleotide kinase.
Mol.Cell, 17, 2005
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7PAZ
 | | REDUCED MUTANT P80I PSEUDOAZURIN FROM A. FAECALIS | | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | | Authors: | Adman, E.T, Libeu, C.A.P. | | Deposit date: | 1997-02-21 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences.
Biochemistry, 36, 1997
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1YJM
 | | Crystal structure of the FHA domain of mouse polynucleotide kinase in complex with an XRCC4-derived phosphopeptide. | | Descriptor: | 12-mer peptide from DNA-repair protein XRCC4, Polynucleotide 5'-hydroxyl-kinase | | Authors: | Bernstein, N.K, Williams, R.S, Rakovszky, M.L, Cui, D, Green, R, Karimi-Busheri, F, Mani, R.S, Galicia, S, Koch, C.A, Cass, C.E, Durocher, D, Weinfeld, M, Glover, J.N.M. | | Deposit date: | 2005-01-14 | | Release date: | 2005-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The molecular architecture of the mammalian DNA repair enzyme, polynucleotide kinase.
Mol.Cell, 17, 2005
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3RVK
 | | Structure of the CheY-Mn2+ Complex with substitutions at 59 and 89: N59D E89Q | | Descriptor: | Chemotaxis protein CheY, MANGANESE (II) ION | | Authors: | Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B. | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
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3RVP
 | | Structure of the CheY-BeF3 Complex with substitutions at 59 and 89: N59D and E89K | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ... | | Authors: | Starbird, C.A, Immormino, R.M, Silversmith, R.E, Bourret, R.B. | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
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6VDL
 | | HCV NS3/4A protease A156T mutant in complex with glecaprevir | | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, GLYCEROL, ... | | Authors: | Timm, J, Schiffer, C.A. | | Deposit date: | 2019-12-27 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | RAS at position 156 of HCV NS3/4A protease abolish inhibition by current HCV drugs
To Be Published
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3M19
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3SA7
 | | Crystal structure of wild-type HIV-1 protease in complex with AF55 | | Descriptor: | N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide, PHOSPHATE ION, Protease | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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1W3J
 | | Family 1 b-glucosidase from Thermotoga maritima in complex with tetrahydrooxazine | | Descriptor: | BETA-GLUCOSIDASE, TETRAHYDROOXAZINE | | Authors: | Gloster, T.M, Macdonald, J.M, Tarling, C.A, Stick, R.V, Withers, S.W, Davies, G.J. | | Deposit date: | 2004-07-16 | | Release date: | 2004-09-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases
J.Biol.Chem., 279, 2004
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7P7A
 | | SARS-CoV-2 spike protein in complex with sybody#68 in a 2up/1flexible conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (4.76 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
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