8B8X
 
 | | Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist | | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | Deposit date: | 2022-10-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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4GO9
 | | CRYSTAL STRUCTURE of the TREHALULOSE SYNTHASE MUTANT, MUTB D415N, in COMPLEX with TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Sucrose isomerase | | Authors: | Lipski, A, Ravaud, S, Robert, X, Haser, R, Aghajari, N. | | Deposit date: | 2012-08-19 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | CRYSTAL STRUCTURE of the TREHALULOSE SYNTHASE MUTB, MUTANT D415N, in COMPLEX with TRIS
To be Published, 2013
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5WE1
 | | Structural Basis for Shelterin Bridge Assembly | | Descriptor: | Protection of telomeres protein poz1,Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ZINC ION | | Authors: | Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F. | | Deposit date: | 2017-07-06 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
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8QBK
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5JGX
 | | Spin-Labeled T4 Lysozyme Construct V131V1 | | Descriptor: | CHLORIDE ION, Endolysin, PHOSPHATE ION, ... | | Authors: | Balo, A.R, Feyrer, H, Ernst, O.P. | | Deposit date: | 2016-04-20 | | Release date: | 2017-02-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.533 Å) | | Cite: | Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
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2ELS
 | | Solution structure of the 2nd C2H2 zinc finger of human Zinc finger protein 406 | | Descriptor: | ZINC ION, Zinc finger protein 406 | | Authors: | Tochio, N, Yoneyama, M, Koshiba, S, Watanabe, S, Harada, T, Umehara, T, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-27 | | Release date: | 2008-04-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the 2nd C2H2 zinc finger of human Zinc finger protein 406
To be Published
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6BAV
 | | Crystal Structure of GltPh R397C in complex with S-Benzyl-L-Cysteine | | Descriptor: | BENZYLCYSTEINE, Glutamate transporter homolog, SODIUM ION | | Authors: | Font, J, Scopelliti, A.J, Vandenberg, R.J, Boudker, O, Ryan, R.M. | | Deposit date: | 2017-10-16 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural characterisation reveals insights into substrate recognition by the glutamine transporter ASCT2/SLC1A5.
Nat Commun, 9, 2018
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8B92
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2) | | Descriptor: | 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | Deposit date: | 2022-10-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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7QV0
 | | Covalent complex between Scalindua brodae amxFabZ and amxACP | | Descriptor: | Acyl carrier protein, Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase, S-[2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (Z)-hex-2-enethioate | | Authors: | Barends, T, Dietl, A. | | Deposit date: | 2022-01-19 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference.
J.Biol.Chem., 299, 2023
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4YQ3
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2X74
 | | Human foamy virus integrase - catalytic core. | | Descriptor: | INTEGRASE | | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A. | | Deposit date: | 2010-02-23 | | Release date: | 2010-08-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
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8B95
 | | Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist | | Descriptor: | Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide | | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | Deposit date: | 2022-10-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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8UOR
 | | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19E) | | Descriptor: | 1,2-ETHANEDIOL, Asparaginase, CHLORIDE ION | | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | | Deposit date: | 2023-10-20 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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8UP6
 | | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A) in complex with L-Asp | | Descriptor: | ASPARTIC ACID, Asparaginase, TETRAETHYLENE GLYCOL | | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | | Deposit date: | 2023-10-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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5TLJ
 | | COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND M2191 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, M2177 HEAVY CHAIN, ... | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | | Deposit date: | 2016-10-11 | | Release date: | 2017-02-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography.
Mol. Immunol., 83, 2017
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8UP9
 | | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19Q) | | Descriptor: | 1,2-ETHANEDIOL, Asparaginase, CHLORIDE ION, ... | | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | | Deposit date: | 2023-10-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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8B93
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) | | Descriptor: | 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | Deposit date: | 2022-10-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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6B8W
 | | 1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae. | | Descriptor: | MANGANESE (II) ION, THIOCYANATE ION, XRE family transcriptional regulator | | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, McChesney, C, Grimshaw, S, Sandoval, J, Satchell, K.J.F, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-10-09 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae.
To Be Published
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8UPC
 | | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K158M) | | Descriptor: | Asparaginase, CHLORIDE ION, GLYCEROL | | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | | Deposit date: | 2023-10-22 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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3OR7
 | | On the structural basis of modal gating behavior in K+channels - E71I | | Descriptor: | POTASSIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ... | | Authors: | Chakrapani, S, Cordero-Morales, J.F, Jogini, V, Pan, A.C, Cortes, D.M, Roux, B, Perozo, E. | | Deposit date: | 2010-09-06 | | Release date: | 2011-01-05 | | Last modified: | 2018-08-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | On the structural basis of modal gating behavior in K(+) channels.
Nat.Struct.Mol.Biol., 18, 2011
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3DBY
 | | Crystal structure of uncharacterized protein from Bacillus cereus G9241 (CSAP Target) | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, uncharacterized protein | | Authors: | Ramagopal, U.A, Bonanno, J.B, Ozyurt, S, Freeman, J, Wasserman, S, Hu, S, Groshong, C, Rodgers, L, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-06-02 | | Release date: | 2008-07-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of uncharacterized protein from Bacillus cereus G9241
To be published
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1VM0
 | | X-RAY STRUCTURE OF GENE PRODUCT FROM ARABIDOPSIS THALIANA AT2G34160 | | Descriptor: | NITRATE ION, POTASSIUM ION, unknown protein | | 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: | 2004-08-24 | | Release date: | 2004-08-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-RAY STRUCTURE OF GENE PRODUCT FROM ARABIDOPSIS THALIANA AT2G34160
To be published
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6GLH
 | | Crystal structure of hMTH1 F27A in complex with LW14 in the absence of acetate | | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.201 Å) | | Cite: | hMTH1 F27A in complex with LW14
To Be Published
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9BEI
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8BI9
 | | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant) | | Descriptor: | Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL | | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-01 | | Release date: | 2022-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction.
J.Med.Chem., 66, 2023
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