6D1N
 
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6D3E
 | | PPARg LBD in Complex with SR1988 | | Descriptor: | 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Frkic, R.L, Bruning, J.B. | | Deposit date: | 2018-04-15 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988.
Nucl Receptor Res, 5, 2018
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6FNR
 | | Ergothioneine-biosynthetic methyltransferase EgtD in complex with chlorohistidine | | Descriptor: | (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid, GLYCEROL, Histidine N-alpha-methyltransferase, ... | | Authors: | Vit, A, Blankenfeldt, W, Seebeck, F.P. | | Deposit date: | 2018-02-05 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
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6CMN
 | | Co-Crystal Structure of HIV-1 TAR Bound to Lab-Evolved RRM TBP6.7 | | Descriptor: | TAR-Binding Protein 6.7, Trans-Activation Response RNA Element | | Authors: | Belashov, I.A, Wedekind, J.E. | | Deposit date: | 2018-03-05 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Structure of HIV TAR in complex with a Lab-Evolved RRM provides insight into duplex RNA recognition and synthesis of a constrained peptide that impairs transcription.
Nucleic Acids Res., 46, 2018
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6FWB
 | | Crystal structure of Mat2A at 1.79 Angstron resolution | | Descriptor: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | | Authors: | Zhou, A, Wei, Z, Bai, J, Wang, H. | | Deposit date: | 2018-03-06 | | Release date: | 2019-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
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6CMR
 | | Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor | | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | Deposit date: | 2018-03-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
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5XQM
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9KNC
 | | Crystal structure of human ERRg LBD in complex with 6-nitroindole | | Descriptor: | 6-nitro-1~{H}-indole, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1, ... | | Authors: | Xu, T, Wang, N, Liu, J. | | Deposit date: | 2024-11-18 | | Release date: | 2025-04-16 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of indoles as potential endogenous ligands of ERR gamma and their modulation on drug binding.
Acta Pharmacol.Sin., 46, 2025
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6VK4
 | | Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (II) ION, ... | | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | | Deposit date: | 2020-01-18 | | Release date: | 2020-08-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
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6CJZ
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5A34
 | | The crystal structure of the GST-like domains complex of EPRS-AIMP2 | | Descriptor: | AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONAL PROTEIN 2, BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE, GLYCEROL | | Authors: | Cho, H.Y, Kang, B.S. | | Deposit date: | 2015-05-27 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Assembly of Multi-tRNA Synthetase Complex Via Heterotetrameric Glutathione Transferase-Homology Domains.
J.Biol.Chem., 290, 2015
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2CNI
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | Descriptor: | MAGNESIUM ION, METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-21 | | Release date: | 2006-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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2C9S
 | | 1.24 Angstroms resolution structure of Zn-Zn Human Superoxide dismutase | | Descriptor: | ACETATE ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Strange, R.W, Antonyuk, S.V, Hough, M.A, Doucette, P.A, Valentine S, J.S, Hasnain, S. | | Deposit date: | 2005-12-14 | | Release date: | 2005-12-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Variable Metallation of Human Superoxide Dismutase: Atomic Resolution Crystal Structures of Cu-Zn, Zn-Zn and as-Isolated Wild-Type Enzymes.
J.Mol.Biol., 356, 2006
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6G3Y
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH5675 | | Descriptor: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, ACETATE ION, N-glycosylase/DNA lyase, ... | | Authors: | Masuyer, G, Helleday, T, Stenmark, P. | | Deposit date: | 2018-03-26 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
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6G5G
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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6VZB
 | | Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-02-28 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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6CQI
 | | 2.42A Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with an oligonucleotide MTS2-11 | | Descriptor: | ACETATE ION, DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, ... | | Authors: | Cao, N, Thirunavukkarasu, A, Tan, K, Tse-Dinh, Y.-C. | | Deposit date: | 2018-03-15 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
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6W4Z
 | | Galectin-8N terminal domain in complex with Methyl 3-O-[3-O-benzyloxy]-malonyl-beta-D-galactopyranoside | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Galectin-8, ... | | Authors: | Patel, B, Kishor, C, Blanchard, H. | | Deposit date: | 2020-03-12 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Rational Design and Synthesis of Methyl-beta-d-galactomalonyl Phenyl Esters as Potent Galectin-8 N Antagonists.
J.Med.Chem., 63, 2020
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2CCT
 | | HUMAN HSP90 WITH 5-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL- 2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE | | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP-90 ALPHA | | Authors: | Barril, X, Beswick, M.C, Collier, A, Drysdale, M.J, Dymock, B.W, Fink, A, Grant, K, Howes, R, Jordan, A.M, Massey, A, Surgenor, A, Wayne, J, Workman, P, Wright, L. | | Deposit date: | 2006-01-18 | | Release date: | 2006-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 4-Amino derivatives of the Hsp90 inhibitor CCT018159.
Bioorg. Med. Chem. Lett., 16, 2006
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6CO9
 | | Crystal structure of Rhodococcus jostii RHA1 IpdAB COCHEA-COA complex | | Descriptor: | Probable CoA-transferase alpha subunit, Probable CoA-transferase beta subunit, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name), ... | | Authors: | Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. | | Deposit date: | 2018-03-12 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6VJU
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3KRG
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6CGZ
 | | Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to C6-AHL | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | | Authors: | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | | Deposit date: | 2018-02-21 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
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2CMA
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | Descriptor: | N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-04 | | Release date: | 2006-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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6CIG
 | | CRYSTAL STRUCTURE ANALYSIS OF SELENOMETHIONINE SUBSTITUTED ISOFLAVONE O-METHYLTRANSFERASE | | Descriptor: | GLYCEROL, Isoflavone-7-O-methyltransferase 8, N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID, ... | | Authors: | Zubieta, C, Dixon, R.A, Shabalin, I.G, Kowiel, M, Porebski, P.J, Noel, J.P. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-07 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of two natural product methyltransferases reveal the basis for substrate specificity in plant O-methyltransferases.
Nat. Struct. Biol., 8, 2001
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