9VGZ
 
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9VG3
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7OVQ
 | | Immature HIV-1 matrix structure | | Descriptor: | Gag polyprotein, MYRISTIC ACID | | Authors: | Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G. | | Deposit date: | 2021-06-15 | | Release date: | 2021-08-18 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Maturation of the matrix and viral membrane of HIV-1.
Science, 373, 2021
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9XIM
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9RNT
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4UU8
 | | Crystal structure of zebrafish Sirtuin 5 in complex with 3,3-dimethyl- succinylated CPS1-peptide | | Descriptor: | 1,2-ETHANEDIOL, 2,2-dimethylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Pannek, M, Gertz, M, Steegborn, C. | | Deposit date: | 2014-07-24 | | Release date: | 2014-08-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTX
 | | Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide | | Descriptor: | 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Pannek, M, Gertz, M, Steegborn, C. | | Deposit date: | 2014-07-23 | | Release date: | 2014-08-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUA
 | | Crystal structure of zebrafish Sirtuin 5 in complex with 3S-Z-amino- succinylated CPS1-peptide | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ... | | Authors: | Pannek, M, Gertz, M, Steegborn, C. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
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7P58
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.886 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5E
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Davies, T.G, Cleasby, A. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.874 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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6OI9
 | | Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine | | Descriptor: | 1,2-ETHANEDIOL, 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
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6OKO
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9DE7
 | | Structure of full-length HIV TAR RNA G16A/A17G | | Descriptor: | RNA (58-MER) | | Authors: | Bou-Nader, C, Zhang, J. | | Deposit date: | 2024-08-28 | | Release date: | 2025-03-12 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of complete HIV-1 TAR RNA portray a dynamic platform poised for protein binding and structural remodeling.
Nat Commun, 16, 2025
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8FKL
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8FIR
 | | Crystal structure of TpPta, a phosphotransacetylase from Treponema pallidum | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphate acetyltransferase | | Authors: | Brautigam, C.A, Norgard, M.V, Deka, R.K. | | Deposit date: | 2022-12-16 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biophysical and biochemical studies support TP0094 as a phosphotransacetylase in an acetogenic energy-conservation pathway in Treponema pallidum.
Plos One, 18, 2023
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6OAZ
 | | Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | | Deposit date: | 2019-03-19 | | Release date: | 2019-05-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7P44
 | | Structure of CgGBE in P21212 space group | | Descriptor: | 1,2-ETHANEDIOL, 1,4-alpha-glucan-branching enzyme | | Authors: | Ballut, L, Conchou, L, Violot, S, Galisson, F, Aghajari, N. | | Deposit date: | 2021-07-09 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Candida glabrata glycogen branching enzyme structure reveals unique features of branching enzymes of the Saccharomycetaceae phylum.
Glycobiology, 32, 2022
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7P45
 | | Structure of CgGBE in P212121 space group | | Descriptor: | 1,2-ETHANEDIOL, 1,4-alpha-glucan-branching enzyme | | Authors: | Ballut, L, Conchou, L, Violot, S, Galisson, F, Aghajari, N. | | Deposit date: | 2021-07-09 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The Candida glabrata glycogen branching enzyme structure reveals unique features of branching enzymes of the Saccharomycetaceae phylum.
Glycobiology, 32, 2022
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6WZY
 | | Structure of DbNA(10) peptides bound to H-2Db MHC-I | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Farenc, C, Rossjohn, J. | | Deposit date: | 2020-05-14 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection.
J Immunol., 205, 2020
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7Q2F
 | | mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT585 | | Descriptor: | 1,2-ETHANEDIOL, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Maveyraud, L, Galy, R, Mourey, L. | | Deposit date: | 2021-10-25 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis : A Crystallographic and Molecular Modelling Study.
Pharmaceuticals, 14, 2021
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6P74
 | | OLD nuclease from Thermus Scotoductus | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PLATINUM (II) ION, Putative ATP-dependent endonuclease of the OLD family, ... | | Authors: | Chappie, J.S, Schiltz, C.J. | | Deposit date: | 2019-06-04 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The full-length structure of Thermus scotoductus OLD defines the ATP hydrolysis properties and catalytic mechanism of Class 1 OLD family nucleases.
Nucleic Acids Res., 48, 2020
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4X7O
 | | Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor | | Descriptor: | 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | | Deposit date: | 2014-12-09 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
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7PQ0
 | | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form B | | Descriptor: | Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I | | Authors: | Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | | Deposit date: | 2021-09-15 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
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7PPZ
 | | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form A | | Descriptor: | Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I | | Authors: | Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | | Deposit date: | 2021-09-15 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
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8FP3
 | | PKCeta kinase domain in complex with compound 11 | | Descriptor: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type | | Authors: | Johnson, E. | | Deposit date: | 2023-01-03 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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