8T2P
| 5TU-t1 - heterodimeric triplet polymerase ribozyme | Descriptor: | RNA (135-MER), RNA (152-MER) | Authors: | McRae, E.K.S, Kristoffersen, E, Gallego, I, Hansen, K, Holliger, P, Andersen, E.S. | Deposit date: | 2023-06-06 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Cryo-EM structure and functional landscape of an RNA polymerase ribozyme. Proc.Natl.Acad.Sci.USA, 121, 2024
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7TPB
| p120RasGAP SH3 domain in complex with DLC1 RhoGAP domain | Descriptor: | Ras GTPase-activating protein 1, Rho GTPase-activating protein 7 | Authors: | Stiegler, A.L, Boggon, T.J, Chau, J.E, Vish, K.J. | Deposit date: | 2022-01-25 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SH3 domain regulation of RhoGAP activity: Crosstalk between p120RasGAP and DLC1 RhoGAP. Nat Commun, 13, 2022
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7LRI
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, dTTP, and CA(2+) ion | Descriptor: | CALCIUM ION, DNA/RNA (38-MER), GLYCEROL, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-16 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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6NIS
| Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ24 isolated following ZPIV vaccination | Descriptor: | CHLORIDE ION, GLYCEROL, MZ24 antibody heavy chain, ... | Authors: | Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G. | Deposit date: | 2018-12-31 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor. Nat Med, 26, 2020
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6NJI
| Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49 | Descriptor: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol, MAGNESIUM ION, ZINC ION, ... | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | Deposit date: | 2019-01-03 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J.Med.Chem., 62, 2019
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6NPM
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7UXX
| Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain | Descriptor: | ACETATE ION, GLYCEROL, Nucleoprotein | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | Deposit date: | 2022-05-06 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor. Sci Rep, 12, 2022
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7ON9
| Crystal structure of para-hydroxybenzoate-3-hydroxylase PraI | Descriptor: | 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID | Authors: | Zahn, M, McGeehan, J.E. | Deposit date: | 2021-05-25 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Debottlenecking 4-hydroxybenzoate hydroxylation in Pseudomonas putida KT2440 improves muconate productivity from p-coumarate. Metab Eng, 70, 2022
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7UXZ
| Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain complexed with Chicoric acid | Descriptor: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | Deposit date: | 2022-05-06 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor. Sci Rep, 12, 2022
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1GKF
| Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-08-13 | Release date: | 2002-01-04 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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7O0E
| Crystal structure of GH30 (mutant E188A) complexed with aldotriuronic acid from Thermothelomyces thermophila. | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dimarogona, M, Kosinas, C, Feiler, C, Weiss, M.S, Topakas, E, Nikolaivits, E. | Deposit date: | 2021-03-26 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies Carbohydrate Polymers, 273, 2021
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6QA8
| Glycogen Phosphorylase b in complex with 28 | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
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6NPI
| Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments | Descriptor: | ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid, 2-pyrrol-1-ylbenzoic acid, Epstein-Barr nuclear antigen 1 | Authors: | Messick, T.E. | Deposit date: | 2019-01-17 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth. Sci Transl Med, 11, 2019
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8BYE
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7LRX
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dCTP, and CA(2+) ion | Descriptor: | 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, AMMONIUM ION, CALCIUM ION, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-17 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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8BYB
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8BWJ
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7LSK
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | Descriptor: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-18 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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8BWZ
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8BX4
| fragment-linked stabilizer for ERa - 14-3-3 interaction (1074392) | Descriptor: | 14-3-3 protein sigma, 2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide, ERalpha peptide | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-07 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BYF
| fragment-linked stabilizer for ERa - 14-3-3 interaction (1047455) | Descriptor: | 14-3-3 protein sigma, PHE-PRO-ALA-TPO-VAL, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-12 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BXO
| fragment-linked stabilizer for ERa - 14-3-3 interaction (1075287) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-09 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BXQ
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8BXS
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8BY9
| fragment-linked stabilizer for ERa - 14-3-3 interaction (1075292) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-12 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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