8QE6
 
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7BCE
 | | Notum Fragment 718 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-12-19 | | Release date: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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5YGR
 | | Crystal structure of PLP bound Diaminopropionate ammonia lyase from Salmonella typhimurium | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diaminopropionate ammonia lyase, ... | | Authors: | Geeta, D, Shveta, B, Shavithri, H.S, Murthy, M.R.N. | | Deposit date: | 2017-09-25 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Comparative structural and enzymatic studies on Salmonella typhimurium diaminopropionate ammonia lyase reveal its unique features
J. Struct. Biol., 202, 2018
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4YES
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6XC1
 | | Crystal structure of bacteriophage T4 spackle and lysozyme in orthorhombic form | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Lysozyme, ... | | Authors: | Shi, K, Oakland, J.T, Kurniawan, F, Moeller, N.H, Aihara, H. | | Deposit date: | 2020-06-07 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis of superinfection exclusion by bacteriophage T4 Spackle.
Commun Biol, 3, 2020
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8FV3
 | | EGFR(T790M/V948R) in complex with compound 1 (LN4503) | | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ... | | Authors: | Ogboo, B.C, Heppner, D.E. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024
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6S4P
 | | The crystal structure of glycogen phosphorylase in complex with 13 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-19 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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8UO6
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9EZ3
 | | Crystal structure of human CLK3 bound to RN129 | | Descriptor: | 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea, Dual specificity protein kinase CLK3, SULFATE ION | | Authors: | Kraemer, A, Raig, N, Knapp, S. | | Deposit date: | 2024-04-10 | | Release date: | 2024-09-11 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Type II kinase inhibitors that target Parkinson's disease-associated LRRK2.
Sci Adv, 11, 2025
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8QM5
 | | Potential drug binding sites for translation initiation factor eIF4E | | Descriptor: | 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid, Eukaryotic translation initiation factor 4E, TRIETHYLENE GLYCOL | | Authors: | Cleasby, A. | | Deposit date: | 2023-09-21 | | Release date: | 2025-01-15 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.889 Å) | | Cite: | Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
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6H2V
 | | Crystal structure of human METTL5-TRMT112 complex, the 18S rRNA m6A1832 methyltransferase at 2.5A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | van Tran, N, Graille, M. | | Deposit date: | 2018-07-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The human 18S rRNA m6A methyltransferase METTL5 is stabilized by TRMT112.
Nucleic Acids Res., 47, 2019
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344D
 | | DETERMINATION BY MAD-DM OF THE STRUCTURE OF THE DNA DUPLEX D(ACGTACG(5-BRU))2 AT 1.46A AND 100K | | Descriptor: | DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*(BRU))-3') | | Authors: | Todd, A.R, Adams, A, Powell, H.R, Cardin, C.J. | | Deposit date: | 1997-08-04 | | Release date: | 1997-09-26 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Determination by MAD-DM of the structure of the DNA duplex d[ACGTACG(5-BrU)]2 at 1.46 A and 100 K.
Acta Crystallogr.,Sect.D, 55, 1999
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9E6Y
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7AGI
 | | The structure of Artemis variant H35D | | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-22 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
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6Y6H
 | | Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe | | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-26 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
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6RYZ
 | | SalL with S-adenosyl methionine | | Descriptor: | 1,2-ETHANEDIOL, Adenosyl-chloride synthase, CHLORIDE ION, ... | | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | | Deposit date: | 2019-06-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Angew.Chem.Int.Ed.Engl., 58, 2019
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8Q0T
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | Descriptor: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, Polyketide synthase Pks13 | | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | Deposit date: | 2023-07-29 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
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108D
 | | THE SOLUTION STRUCTURE OF A DNA COMPLEX WITH THE FLUORESCENT BIS INTERCALATOR TOTO DETERMINED BY NMR SPECTROSCOPY | | Descriptor: | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM, DNA (5'-D(*CP*GP*CP*TP*AP*GP*CP*G)-3') | | Authors: | Spielmann, H.P, Wemmer, D.E, Jacobsen, J.P. | | Deposit date: | 1995-01-31 | | Release date: | 1995-06-03 | | Last modified: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA complex with the fluorescent bis-intercalator TOTO determined by NMR spectroscopy.
Biochemistry, 34, 1995
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6ZY3
 | | Cryo-EM structure of MlaFEDB in complex with phospholipid | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ... | | Authors: | Dong, C.J, Dong, H.H. | | Deposit date: | 2020-07-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
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7SFM
 | | Mycobacterium tuberculosis Hip1 crystal structure | | Descriptor: | ACETATE ION, GLYCEROL, Hip1 | | Authors: | Ostrov, D.A, Li, D. | | Deposit date: | 2021-10-04 | | Release date: | 2022-08-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022
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5YRX
 | | Crystal structure of a hypothetical protein Rv3716c from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Nucleoid-associated protein Rv3716c | | Authors: | Deka, G, Gopalan, A, Prabhavathi, M, Savithri, H.S, Raja, A, Murthy, M.R.N. | | Deposit date: | 2017-11-10 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and biophysical characterization of Rv3716c, a hypothetical protein from Mycobacterium tuberculosis
Biochem. Biophys. Res. Commun., 495, 2018
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8HAS
 | | NARROW LEAF 1-close from Japonica | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Protein NARROW LEAF 1 | | Authors: | Zhang, S.J, He, Y.J, Wang, N, Zhang, W.J, Liu, C.M. | | Deposit date: | 2022-10-26 | | Release date: | 2024-05-01 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | NARROW LEAF 1-close from Japonica
To Be Published
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8HAT
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1AJ8
 | | CITRATE SYNTHASE FROM PYROCOCCUS FURIOSUS | | Descriptor: | CITRATE SYNTHASE, CITRIC ACID, COENZYME A | | Authors: | Russell, R.J.M, Ferguson, J.M.C, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 1997-05-16 | | Release date: | 1997-11-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of citrate synthase from the hyperthermophilic archaeon pyrococcus furiosus at 1.9 A resolution,.
Biochemistry, 36, 1997
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1ALC
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