4U82
 
 | | Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | | Descriptor: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4TVR
 | | Tandem Tudor and PHD domains of UHRF2 | | Descriptor: | E3 ubiquitin-protein ligase UHRF2, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Walker, J.R, Dong, A, Zhang, Q, Ong, M, Duan, S, Li, Y, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure of the Tandem Tudor and PHD domains of UHRF2
To be published
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4U3Y
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4U2S
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4U43
 | | MAP4K4 in complex with inhibitor (compound 6) | | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | | Authors: | Harris, S.F, Wu, P, Coons, M. | | Deposit date: | 2014-07-23 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4HG4
 | | Crystal structure of Fab 2G1 in complex with a H2N2 influenza virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2G1 heavy chain, ... | | Authors: | Xu, R, Wilson, I.A. | | Deposit date: | 2012-10-06 | | Release date: | 2013-02-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin.
Nat.Struct.Mol.Biol., 20, 2013
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4MGH
 | | Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R. | | Deposit date: | 2013-08-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Plos One, 8, 2013
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4HGW
 | | Crystal structure of S25-2 in complex with a 5,6-dehydro-Kdo disaccharide | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid, Antibody Fab fragment, heavy chain, ... | | Authors: | Brooks, C.L, Evans, S.V. | | Deposit date: | 2012-10-08 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Exploring the cross-reactivity of S25-2: complex with a 5,6-dehydro-Kdo disaccharide.
Acta Crystallogr.,Sect.F, 69, 2013
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4HEZ
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3MQQ
 | | The Crystal Structure of the PAS domain in complex with Ethanol of a Transcriptional Regulator in the LuxR family from Burkholderia thailandensis to 1.65A | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, SODIUM ION, ... | | Authors: | Stein, A.J, Tesar, C, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-04-28 | | Release date: | 2010-06-23 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Crystal Structure of the PAS domain in complex with Ethanol of a Transcriptional Regulator in the LuxR family from Burkholderia thailandensis to 1.65A
To be Published
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3E5V
 | | Crystal Structure Analysis of eqFP611 Double Mutant T122R, N143S | | Descriptor: | Red fluorescent protein eqFP611 | | Authors: | Nar, H, Nienhaus, K, Nienhaus, U, Wiedenmann, J. | | Deposit date: | 2008-08-14 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Trans-cis isomerization is responsible for the red-shifted fluorescence in variants of the red fluorescent protein eqFP611.
J.Am.Chem.Soc., 130, 2008
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4LXA
 | | Crystal Structure of Human Beta Secretase in Complex with Compound 11a | | Descriptor: | (1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2013-07-29 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides.
Bioorg.Med.Chem.Lett., 23, 2013
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3E61
 | | Crystal structure of a putative transcriptional repressor of ribose operon from Staphylococcus saprophyticus subsp. saprophyticus | | Descriptor: | GLYCEROL, Putative transcriptional repressor of ribose operon | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-08-14 | | Release date: | 2008-08-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a putative transcriptional repressor of ribose operon from Staphylococcus saprophyticus subsp. saprophyticus
To be Published
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3MLZ
 | | Crystal structure of anti-HIV-1 V3 Fab 3074 in complex with a VI191 V3 peptide | | Descriptor: | HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain | | Authors: | Kong, X.-P. | | Deposit date: | 2010-04-18 | | Release date: | 2010-07-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
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4HJ5
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3MRD
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide V6G variant | | Descriptor: | 9-meric peptide from Tegument protein pp65, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Reiser, J.-B, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans.
J.Immunol., 193, 2014
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4HK6
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3E6Q
 | | Putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | | Authors: | Osipiuk, J, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-08-15 | | Release date: | 2008-08-26 | | Last modified: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | X-ray crystal structure of putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa.
To be Published
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3MRJ
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide V5M variant | | Descriptor: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide V5M variant
To be Published
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4M0A
 | | Human DNA Polymerase Mu post-catalytic complex | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA-directed DNA/RNA polymerase mu, ... | | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | | Deposit date: | 2013-08-01 | | Release date: | 2014-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
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3E7J
 | | HeparinaseII H202A/Y257A double mutant complexed with a heparan sulfate tetrasaccharide substrate | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Heparinase II protein, ... | | Authors: | Shaya, D, Cygler, M. | | Deposit date: | 2008-08-18 | | Release date: | 2008-12-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Catalytic mechanism of heparinase II investigated by site-directed mutagenesis and the crystal structure with its substrate.
J.Biol.Chem., 285, 2010
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3E8C
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | Descriptor: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide | | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | Deposit date: | 2008-08-19 | | Release date: | 2008-11-18 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3M00
 | | Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate | | Descriptor: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION | | Authors: | Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E. | | Deposit date: | 2010-03-02 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
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4LU1
 | | Crystal structure of the uncharacterized Maf protein YceF from E. coli, mutant D69A | | Descriptor: | Maf-like protein YceF, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-07-24 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
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4M1Q
 | | Crystal structure of L-lactate dehydrogenase from Bacillus selenitireducens MLS10, NYSGRC Target 029814. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, L-lactate dehydrogenase, PHOSPHATE ION | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-03 | | Release date: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of L-lactate dehydrogenase from Bacillus selenitireducens MLS10, NYSGRC Target 029814.
To be Published
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