4ZRD
 
 | | Crystal structure of SMG1 F278N mutant | | Descriptor: | GLYCEROL, LIP1, secretory lipase (Family 3), ... | | Authors: | Xu, J, Xu, H, Hou, S, Liu, J. | | Deposit date: | 2015-05-12 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of product-bound SMG1 lipase: active site gating implications.
Febs J., 282, 2015
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1PT2
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1AHW
 | | A COMPLEX OF EXTRACELLULAR DOMAIN OF TISSUE FACTOR WITH AN INHIBITORY FAB (5G9) | | Descriptor: | IMMUNOGLOBULIN FAB 5G9 (HEAVY CHAIN), IMMUNOGLOBULIN FAB 5G9 (LIGHT CHAIN), TISSUE FACTOR | | Authors: | Huang, M, Syed, R, Stura, E.A, Stone, M.J, Stefanko, R.S, Ruf, W, Edgington, T.S, Wilson, I.A. | | Deposit date: | 1997-04-10 | | Release date: | 1998-02-25 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The mechanism of an inhibitory antibody on TF-initiated blood coagulation revealed by the crystal structures of human tissue factor, Fab 5G9 and TF.5G9 complex.
J.Mol.Biol., 275, 1998
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8QIJ
 | | Crystallographic Structure of a Salicylate Synthase from M. abscessus (Mab-SaS) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Cassetta, A, Covaceuszach, S, Tomaiuolo, M, Meneghetti, F, Villa, S, Mori, M, Chiarelli, L.R, Mangiatordi, G.F. | | Deposit date: | 2023-09-12 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.073 Å) | | Cite: | Structural basis for specific inhibition of salicylate synthase from Mycobacterium abscessus.
Eur.J.Med.Chem., 265, 2024
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8R11
 | | Structure of compound 7 bound to SARS-CoV-2 main protease | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ... | | Authors: | Mac Sweeney, A, Hazemann, J. | | Deposit date: | 2023-11-01 | | Release date: | 2024-02-07 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
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8QN0
 | | Soluble epoxide hydrolase in complex with RK3 | | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-25 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8QMZ
 | | Soluble epoxide hydrolase in complex with RK4 | | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-25 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8RB4
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8RD2
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8RQ4
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8RIJ
 | | Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | | Deposit date: | 2023-12-18 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor.
J.Med.Chem., 67, 2024
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8QP0
 | | A hexamer pore in the S-layer of Sulfolobus acidocaldarius formed by SlaA protein | | Descriptor: | S-layer protein A | | Authors: | Gambelli, L, McLaren, M, Isupov, M, Conners, R, Daum, B. | | Deposit date: | 2023-09-29 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (11.2 Å) | | Cite: | Structure of the two-component S-layer of the archaeon Sulfolobus acidocaldarius.
Elife, 13, 2024
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8RK2
 | | Human Replication protein A (RPA; trimeric core) - ssDNA complex | | Descriptor: | Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit, Replication protein A 70 kDa DNA-binding subunit, ... | | Authors: | Liang, C.C, West, S.C. | | Deposit date: | 2023-12-22 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of single-stranded DNA annealing by RAD52-RPA complex.
Nature, 629, 2024
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8R88
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8QH7
 | | Crystal structure of respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent) | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, ... | | Authors: | Wohlwend, D, Friedrich, T. | | Deposit date: | 2023-09-06 | | Release date: | 2024-04-03 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I.
Structure, 32, 2024
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8QGW
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8ROX
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 12 | | Descriptor: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | Authors: | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | | Deposit date: | 2024-01-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
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8R8T
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8QEO
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1AL0
 | | PROCAPSID OF BACTERIOPHAGE PHIX174 | | Descriptor: | CAPSID PROTEIN GPF, SCAFFOLDING PROTEIN GPB, SCAFFOLDING PROTEIN GPD, ... | | Authors: | Rossmann, M.G, Dokland, T. | | Deposit date: | 1997-06-06 | | Release date: | 1998-01-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a viral procapsid with molecular scaffolding.
Nature, 389, 1997
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8QK9
 | | Structure of E. coli LpxH in complex with JEDI-1444 | | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8RHF
 | | Lytic Transglycosylase MltD of Pseudomonas aeruginosa bound to the Natural Product Bulgecin A, with two LysM domains | | Descriptor: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, DI(HYDROXYETHYL)ETHER, LysM peptidoglycan-binding domain-containing protein, ... | | Authors: | Miguel-Ruano, V, Hermoso, J.A. | | Deposit date: | 2023-12-15 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A.
Int.J.Biol.Macromol., 267, 2024
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8RGG
 | | Structure of dynein-2 intermediate chain DYNC2I2 (WDR34) in complex with dynein-2 heavy chain DYNC2H1. | | Descriptor: | Cytoplasmic dynein 2 intermediate chain 1, Cytoplasmic dynein 2 intermediate chain 2, Dynein light chain 1, ... | | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Mladenov, M, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | | Deposit date: | 2023-12-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport.
Embo J., 43, 2024
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8QU4
 | | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ... | | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-10-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
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8QZZ
 | | Crystal structure of human eIF2 alpha-gamma complexed with PPP1R15A_420-452 | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Yan, Y, Ron, D. | | Deposit date: | 2023-10-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Substrate recruitment via eIF2 gamma enhances catalytic efficiency of a holophosphatase that terminates the integrated stress response.
Proc.Natl.Acad.Sci.USA, 121, 2024
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