6KJM
 
 | | Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | | Authors: | Ramachandran, R, Shukla, A, Afsar, M. | | Deposit date: | 2019-07-22 | | Release date: | 2020-07-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
J.Struct.Biol., 213, 2021
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8AUA
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7M52
 | | B6 Fab fragment bound to the HKU4 spike stem helix peptide | | Descriptor: | B6 antigen-binding (Fab) fragment heavy chain, B6 antigen-binding (Fab) fragment light chain, GLYCEROL, ... | | Authors: | Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2021-03-22 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for broad coronavirus neutralization.
Nat.Struct.Mol.Biol., 28, 2021
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5HFQ
 | | Crystal structure of the second bromodomain Q443H mutant of human BRD2 | | Descriptor: | Bromodomain-containing protein 2 | | Authors: | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Fonseca, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2016-01-07 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the second bromodomain Q443H mutant of human BRD2
To Be Published
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5T7I
 | | Crystal structure of galectin-8N in complex with LNnT | | Descriptor: | Galectin-8, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Bohari, M.H, Yu, X, Blanchard, H. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
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8AUF
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6KJT
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | Descriptor: | Putative beta-lactamase, SUCCINIC ACID | | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | | Deposit date: | 2019-07-23 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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8T1U
 | | Crystal structure of the DRM2-CTA DNA complex | | Descriptor: | DNA (5'-D(P*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*AP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*AP*TP*TP*TP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | | Authors: | Chen, J, Lu, J, Song, J. | | Deposit date: | 2023-06-03 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | DNA conformational dynamics in the context-dependent non-CG CHH methylation by plant methyltransferase DRM2.
J.Biol.Chem., 299, 2023
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6XZ0
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8AUN
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6FF2
 | | CopZ metallochaperone | | Descriptor: | COPPER (I) ION, Copper chaperone CopZ, MAGNESIUM ION | | Authors: | Pelicioli-Riboldi, G, Basle, A, Waldron, K. | | Deposit date: | 2018-01-03 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The copper homeostasis system of Staphylococcus aureus:
Two putative metallochaperones with contrasting copper binding properties.
To Be Published
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8AUO
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7R9C
 | | Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | | Authors: | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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8TSC
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-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 (3.62 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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6PVY
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6PW8
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7REH
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6PTT
 | | Soluble model of Arabidopsis thaliana CuA (Tt3LAt) | | Descriptor: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION | | Authors: | Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J. | | Deposit date: | 2019-07-16 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways.
Chem.Commun.(Camb.), 56, 2020
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6FF8
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8TJI
 | | SAM-dependent methyltransferase RedM, apo | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, RedM, ... | | Authors: | Daniel-Ivad, P, Ryan, K.S. | | Deposit date: | 2023-07-22 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine.
J.Biol.Chem., 300, 2023
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7RLZ
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8AUE
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6D0I
 | | ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS. L48M ParT, SeMet-substituted complex. | | Descriptor: | GLYCEROL, ParS: COG5642 (DUF2384) antitoxin fragment, ParT: COG5654 (RES domain) toxin | | Authors: | Piscotta, F.J, Jeffrey, P.D, Link, A.J. | | Deposit date: | 2018-04-10 | | Release date: | 2019-01-09 | | Last modified: | 2019-01-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | ParST is a widespread toxin-antitoxin module that targets nucleotide metabolism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7RM1
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8AWI
 | | Crystal structure of Human Transthyretin at 1.15 Angstrom resolution | | Descriptor: | SODIUM ION, Transthyretin | | Authors: | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | Deposit date: | 2022-08-29 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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