3V2O
 
 | | Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human ANKRA2 | | Descriptor: | Ankyrin repeat family A protein 2, Low-density lipoprotein receptor-related protein 2 | | Authors: | Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-12 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
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3UVQ
 | | Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative | | Descriptor: | Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside | | Authors: | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | | Deposit date: | 2011-11-30 | | Release date: | 2012-12-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
J.Med.Chem., 56, 2013
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3V31
 | | Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human ANKRA2 | | Descriptor: | Ankyrin repeat family A protein 2, CHLORIDE ION, Histone deacetylase 4, ... | | Authors: | Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-12 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
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3V3N
 | | Crystal structure of TetX2 T280A: an adaptive mutant in complex with minocycline | | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Walkiewicz, K, Shamoo, Y. | | Deposit date: | 2011-12-13 | | Release date: | 2013-01-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Crystal structure of TetX2 T280A: an adaptive mutant in complex with minocycline
To be Published
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3V4J
 | | First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G | | Descriptor: | 4-[methyl(nitroso)amino]benzene-1,2-diol, DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | | Authors: | Shandilya, S.M.D, Ali, A, Schiffer, C.A. | | Deposit date: | 2011-12-15 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
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3V0L
 | | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-Gal derived inhibitor (2GW) | | Descriptor: | 5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Palcic, M.M, Jorgensen, R. | | Deposit date: | 2011-12-08 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013
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3V20
 | | Crystal structure of Type IIF restriction endonuclease Bse634I with cognate DNA | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Manakova, E.N, Grazulis, S, Golovenko, D, Tamulaitiene, G. | | Deposit date: | 2011-12-11 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease.
Nucleic Acids Res., 40, 2012
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3V1N
 | | Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA | | Descriptor: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, BENZOIC ACID, ... | | Authors: | Ghosh, S, Bolin, J.T. | | Deposit date: | 2011-12-09 | | Release date: | 2012-03-21 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
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3V5K
 | | HLA2.1 KVAELVWFL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HIV-based altered-peptide ligand KVAELVWFL, ... | | Authors: | Collins, E.J, Lee, H.Y. | | Deposit date: | 2011-12-16 | | Release date: | 2012-12-19 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Prediction of Immunogenicity of altered-peptide ligands to HIV bound to MHC
To be Published
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3V5Q
 | | Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models | | Descriptor: | 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor | | Authors: | Kreusch, A. | | Deposit date: | 2011-12-16 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2001 Å) | | Cite: | Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.
ACS Med Chem Lett, 3, 2012
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3V0O
 | | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-GalNAc derived inhibitor (4GW) and H-antigen acceptor | | Descriptor: | 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate), Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Palcic, M.M, Jorgensen, R. | | Deposit date: | 2011-12-08 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Base-modified donor analogues reveal novel dynamic features of a glycosyltransferase.
J.Biol.Chem., 288, 2013
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3V1K
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3V5H
 | | HLA-A2.1 KVAEIVHFL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HIV-based altered-peptide ligand KVAEIVHFL, ... | | Authors: | Collins, E.J, Lee, H.Y. | | Deposit date: | 2011-12-16 | | Release date: | 2012-12-05 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Prediction of immunogenicity of altered-peptide ligands for HIV therapy
To be Published
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3V6E
 | | Crystal Structure of USP2 and a mutant form of Ubiquitin | | Descriptor: | CHLORIDE ION, GLYCEROL, Ubiquitin, ... | | Authors: | Neculai, M, Ernst, A, Sidhu, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-19 | | Release date: | 2012-12-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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3VAB
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3VCD
 | | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32 | | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-01-03 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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3VCE
 | | Thaumatin by LB based Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Best Case) | | Descriptor: | GLYCEROL, Thaumatin I | | Authors: | Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C. | | Deposit date: | 2012-01-04 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
Crit Rev Eukaryot Gene Expr, 22, 2012
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3VCJ
 | | Thaumatin by LB Hanging Drop Vapour Diffusion after 9.05 MGy X-Ray dose at ESRF ID29 beamline (Best Case) | | Descriptor: | GLYCEROL, Thaumatin I | | Authors: | Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C. | | Deposit date: | 2012-01-04 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
Crit Rev Eukaryot Gene Expr, 22, 2012
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3VGW
 | | Crystal structure of monoAc-biotin-avidin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, Avidin, ... | | Authors: | Terai, T, Maki, E, Sugiyama, S, Takahashi, Y, Matsumura, H, Mori, Y, Nagano, T. | | Deposit date: | 2011-08-21 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
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3VOW
 | | Crystal Structure of the Human APOBEC3C having HIV-1 Vif-binding Interface | | Descriptor: | CHLORIDE ION, Probable DNA dC->dU-editing enzyme APOBEC-3C, ZINC ION | | Authors: | Kitamura, S, Suzuki, A, Watanabe, N, Iwatani, Y. | | Deposit date: | 2012-02-22 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The APOBEC3C crystal structure and the interface for HIV-1 Vif binding.
Nat.Struct.Mol.Biol., 19, 2012
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3V88
 | | Thaumatin by Classical Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Best Case) | | Descriptor: | GLYCEROL, Thaumatin I | | Authors: | Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C. | | Deposit date: | 2011-12-22 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012
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3VF9
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3VFW
 | | crystal structure of HLA B*3508 LPEP-P10Ala, peptide mutant P10-ala | | Descriptor: | Beta-2-microglobulin, LPEP peptide from EBV, P10A, ... | | Authors: | Liu, Y.C, Rossjohn, J, Gras, S. | | Deposit date: | 2012-01-10 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
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3VFV
 | | crystal structure of HLA B*3508 LPEP-P9Ala, peptide mutant P9-ala | | Descriptor: | Beta-2-microglobulin, LPEP peptide from EBV, P9A, ... | | Authors: | Liu, Y.C, Rossjohn, J, Gras, S. | | Deposit date: | 2012-01-10 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
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3VGE
 | | Crystal structure of glycosyltrehalose trehalohydrolase (D252S) | | Descriptor: | CITRATE ANION, GLYCEROL, Malto-oligosyltrehalose trehalohydrolase | | Authors: | Okazaki, N, Tamada, T, Feese, M.D, Kato, M, Miura, Y, Komeda, T, Kobayashi, K, Kondo, K, Kuroki, R. | | Deposit date: | 2011-08-09 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substrate recognition mechanism of a glycosyltrehalose trehalohydrolase from Sulfolobus solfataricus KM1.
Protein Sci., 21, 2012
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