7RIL
 
 | | Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG | | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ... | | Authors: | Oh, J, Dervan, P.B, Wang, D. | | Deposit date: | 2021-07-20 | | Release date: | 2022-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8BI7
 | | Binary structure of 14-3-3s and PKR phosphopeptide | | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2022-11-01 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
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6K35
 | | Crystal structure of GH20 exo beta-N-acetylglucosaminidase from Vibrio harveyi in complex with NAG-thiazoline | | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-N-acetylglucosaminidase Nag2 | | Authors: | Meekrathok, P, Stubbs, K.A, Bulmer, D.M, van den Berg, B, Suginta, W. | | Deposit date: | 2019-05-16 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | NAG-thiazoline is a potent inhibitor of the Vibrio campbellii GH20 beta-N-Acetylglucosaminidase.
Febs J., 287, 2020
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8T8I
 | | Structure of VHH-Fab complex with engineered Elbow FNQIKG, Crystal Kappa and SER substitutions | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab heavy chain, ... | | Authors: | Filippova, E.V, Thompson, I, Kossiakoff, A.A. | | Deposit date: | 2023-06-22 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
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7JZG
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8TS9
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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7JZF
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7RIM
 | | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 | | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Oh, J, Dervan, P.B, Wang, D. | | Deposit date: | 2021-07-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6Z3L
 | | Repulsive Guidance Molecule C (RGMC, Hemojuvelin, HJV, HFE2) in complex with Growth Differentiation Factor 5 (GDF5) | | Descriptor: | Growth/differentiation factor 5, Hemojuvelin | | Authors: | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | | Deposit date: | 2020-05-20 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.513 Å) | | Cite: | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6CUK
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6Z5O
 | | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH COENZYME-A AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE | | Descriptor: | COENZYME A, GLYCEROL, NICOTINAMIDE, ... | | Authors: | Wierenga, R.K, Sridhar, S, Kiema, T.R. | | Deposit date: | 2020-05-27 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites.
Acta Crystallogr D Struct Biol, 76, 2020
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7K0U
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8THS
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6OXC
 | | Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Methylmalonyl-CoA mutase large subunit, ... | | Authors: | Purchal, M, Ruetz, M, Banerjee, R, Koutmos, M. | | Deposit date: | 2019-05-13 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair.
Science, 366, 2019
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7RIY
 | | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 2 soaked with UTP | | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Oh, J, Dervan, P.B, Wang, D. | | Deposit date: | 2021-07-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5THU
 | | Crystal Structure of G304A HDAC8 in complex with M344 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
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8B7F
 | | Nuclease from C. glutamicum | | Descriptor: | Ubiquitin-like protein SMT3,MksG | | Authors: | Wehenkel, A, Ben Assaya, M, Haouz, A. | | Deposit date: | 2022-09-29 | | Release date: | 2023-03-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (4.6 Å) | | Cite: | The MksG nuclease is the executing part of the bacterial plasmid defense system MksBEFG.
Nucleic Acids Res., 51, 2023
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6FIX
 | | antitoxin GraA in complex with its operator | | Descriptor: | DNA (30-MER), XRE family transcriptional regulator | | Authors: | Talavera, A, Loris, R. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT.
Nat Commun, 10, 2019
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5TNU
 | | S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution | | Descriptor: | CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ... | | Authors: | DuPrez, K.T, Hilario, E, Wang, I, Fan, L. | | Deposit date: | 2016-10-14 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA.
Anal.Chem., 90, 2018
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6Z7L
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789 | | Descriptor: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2020-05-31 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.624 Å) | | Cite: | GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 63, 2020
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5HDR
 | | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine | | Descriptor: | Alpha-L-fucosidase, IMIDAZOLE, SULFATE ION, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2016-01-05 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
To Be Published
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6CVC
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6FJQ
 | | Adenovirus species 48, fiber knob protein | | Descriptor: | 1,2-ETHANEDIOL, Fiber, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Parker, A.L, Baker, A.T. | | Deposit date: | 2018-01-22 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions.
Nat Commun, 10, 2019
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6Z7O
 | | Crystal structure of Thioredoxin T from Drosophila melanogaster | | Descriptor: | Thioredoxin-T, ZINC ION | | Authors: | Freier, R, Aragon, E, Baginski, B, Pluta, R, Martin-Malpartida, P, Torner, C, Gonzaez, C, Macias, M. | | Deposit date: | 2020-05-31 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins.
Iucrj, 8, 2021
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7K1P
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