8IJO
 
 | |
6KCT
 | |
5GU1
 | | Crystal structure of Au(L).CL-apo-E45C/R52C-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | Authors: | Maity, B, Abe, S, Ueno, T. | | Deposit date: | 2016-08-24 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Observation of gold sub-nanocluster nucleation within a crystalline protein cage
Nat Commun, 8, 2017
|
|
6EKN
 | | Crystal structure of MMP12 in complex with inhibitor BE7. | | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | Deposit date: | 2017-09-26 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
|
|
5DNU
 | | Crystal structure of Striga KAI2-like protein in complex with karrikin | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-2H-furo[2,3-c]pyran-2-one, BENZOIC ACID, ... | | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | | Deposit date: | 2015-09-10 | | Release date: | 2016-08-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
|
|
5MKF
 | | cryoEM Structure of Polycystin-2 in complex with calcium and lipids | | Descriptor: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wilkes, M, Madej, M.G, Ziegler, C. | | Deposit date: | 2016-12-04 | | Release date: | 2017-01-18 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Molecular insights into lipid-assisted Ca(2+) regulation of the TRP channel Polycystin-2.
Nat. Struct. Mol. Biol., 24, 2017
|
|
9YDV
 | | MRS2905 bound P2Y14 Receptor in complex with Gi | | Descriptor: | 1-{5-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Fay, J.F. | | Deposit date: | 2025-09-23 | | Release date: | 2025-11-19 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | UDP-glucose and MRS2905 agonist-bound states of the purinergic P2Y14 receptor
Commun Biol, 2025
|
|
8W9A
 | | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site | | Descriptor: | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Huang, X, Ren, X, Zhong, W. | | Deposit date: | 2023-09-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 32, 2024
|
|
8IK4
 | |
6H6X
 | | Structure of an evolved dimeric form of the UbiD-class enzyme HmfF from Pelotomaculum thermopropionicum in complex with prFMN | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-polyprenyl-4-hydroxybenzoate decarboxylase and related decarboxylases, CALCIUM ION, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2018-07-30 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Enzymatic Carboxylation of 2-Furoic Acid Yields 2,5-Furandicarboxylic Acid (FDCA).
Acs Catalysis, 9, 2019
|
|
6YI5
 | | In-situ structure of the trimeric HEF from influenza C by flexible fitting into a cryo-ET map. | | Descriptor: | Hemagglutinin-esterase-fusion glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Halldorsson, S, Rosenthal, P.B. | | Deposit date: | 2020-03-31 | | Release date: | 2021-03-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | In situ structure and organization of the influenza C virus surface glycoprotein.
Nat Commun, 12, 2021
|
|
7TQG
 | | Crystal Structure of IOMA Fab inferred germline | | Descriptor: | IOMA iGL Fab Heavy Chain, IOMA iGL Fab Light Chain | | Authors: | Gristick, H.B, Bjorkman, P.J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-03-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | CD4 binding site immunogens elicit heterologous anti-HIV-1 neutralizing antibodies in transgenic and wild-type animals.
Sci Immunol, 8, 2023
|
|
8IJP
 | |
6KFZ
 | | SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec at 1.96 angstrom resolution | | Descriptor: | Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2019-07-09 | | Release date: | 2019-10-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
|
|
5JZK
 | | The Structure of Ultra Stable Green Fluorescent Protein | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Yong, K.J, Gunn, N.J, Scott, D.J, Griffin, M.D.W. | | Deposit date: | 2016-05-17 | | Release date: | 2017-12-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Novel Ultra-Stable, Monomeric Green Fluorescent Protein For Direct Volumetric Imaging of Whole Organs Using CLARITY.
Sci Rep, 8, 2018
|
|
5DTF
 | |
8IKD
 | |
7U4C
 | | Borrelia burgdorferi HtpG N-terminal domain (1-228) in complex with BX-2819 | | Descriptor: | Chaperone protein HtpG, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | | Authors: | Kowalewski, M.E, Lietzan, A, Haystead, T, Redinbo, M.R. | | Deposit date: | 2022-02-28 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Targeting Borrelia burgdorferi HtpG with a berserker molecule, a strategy for anti-microbial development.
Cell Chem Biol, 2023
|
|
8IK8
 | |
4ZAU
 | | AZD9291 complex with wild type EGFR | | Descriptor: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | | Authors: | Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M. | | Deposit date: | 2015-04-14 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
|
|
5XWX
 | |
7Y8V
 | | Crystal structure of AlbEF homolog mutant (AlbF-H54A/H58A) from Quasibacillus thermotolerans | | Descriptor: | 1,2-ETHANEDIOL, AlbE homolog, AlbF homolog H54A/H58A mutant, ... | | Authors: | Ishida, K, Nakamura, A, Kojima, S. | | Deposit date: | 2022-06-24 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the AlbEF complex involved in subtilosin A biosynthesis.
Structure, 30, 2022
|
|
7BLT
 | | Notum_Maybridge_4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-19 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Notum Inhibitor
To Be Published
|
|
8ROY
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24 | | Descriptor: | 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, 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: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
|
|
9G35
 | | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin | | Descriptor: | 1,2-ETHANEDIOL, Endothiapepsin, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | Deposit date: | 2024-07-11 | | Release date: | 2024-07-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
|
|
