4WMA
 
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8OTQ
 | | Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in GDN | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PALMITIC ACID, Sperm-specific sodium proton exchanger | | Authors: | Yeo, H, Mehta, V, Gulati, A, Drew, D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Nature, 623, 2023
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6VN3
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | | Descriptor: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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4WV9
 | | Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane | | Descriptor: | (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane, Soluble acetylcholine receptor | | Authors: | Talley, T.T, Bobango, J, Wu, J.M, Sankaran, B. | | Deposit date: | 2014-11-04 | | Release date: | 2015-04-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound.
To Be Published
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8P1X
 | | TarM(Se)_G117R-UDP-glucose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Guo, Y, Stehle, T. | | Deposit date: | 2023-05-13 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
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6VLM
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6VJB
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4WM0
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6VJJ
 | | Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-01-16 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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8AJ7
 | | Kunitz domain of Amblyomin-X | | Descriptor: | 1,2-ETHANEDIOL, Kunitz domain of Amblyomin-X | | Authors: | Ciccone, L, Servent, D, Stura, E.A. | | Deposit date: | 2022-07-27 | | Release date: | 2023-02-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional properties of the Kunitz-type and C-terminal domains of Amblyomin-X supporting its antitumor activity.
Front Mol Biosci, 10, 2023
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6MXF
 | | MicroED structure of thiostrepton at 1.9 A resolution | | Descriptor: | Thiostrepton | | Authors: | Jones, C.G, Martynowycz, M.W, Hattne, J, Fulton, T, Stoltz, B.M, Rodriguez, J.A, Nelson, H.M, Gonen, T. | | Deposit date: | 2018-10-30 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-15 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.91 Å) | | Cite: | The CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination.
ACS Cent Sci, 4, 2018
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4X5Y
 | | Menin in complex with MI-503 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ... | | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | | Deposit date: | 2014-12-06 | | Release date: | 2015-04-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
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7S6F
 | | Crystal structure of UrtA1 from Synechococcus WH8102 in complex with urea and calcium | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Putative urea ABC transporter, ... | | Authors: | Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T. | | Deposit date: | 2021-09-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of UrtA1 from Synechococcus WH8102 in complex with urea and calcium
To Be Published
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4QOA
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6VU2
 | | M1214_N1 Fab structure | | Descriptor: | M1214 N1 Fab heavy chain, M1214 N1 Fab light chain | | Authors: | Pan, R, Kong, X. | | Deposit date: | 2020-02-14 | | Release date: | 2020-05-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA.
Cell Host Microbe, 27, 2020
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6W46
 | | Valine-Containing Collagen Peptide | | Descriptor: | 1,2-ETHANEDIOL, Collagen-like peptide | | Authors: | Chenoweth, D.M, Melton, S.D. | | Deposit date: | 2020-03-10 | | Release date: | 2020-08-12 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Rules for the design of aza-glycine stabilized triple-helical collagen peptides.
Chem Sci, 11, 2020
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4WFB
 | | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with BC-3205 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E. | | Deposit date: | 2014-09-14 | | Release date: | 2015-10-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5JWZ
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6W34
 | | Crystal Structure of Class A Beta-lactamase from Bacillus cereus | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-08 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of Class A Beta-lactamase from
Bacillus cereus
To Be Published
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6TIV
 | | Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ... | | Authors: | Rudraraju, R, Schnell, R, Schneider, G. | | Deposit date: | 2019-11-22 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
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8WN5
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8IZG
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP | | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2023-04-07 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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4WMR
 | | STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A | | Descriptor: | 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ... | | Authors: | CLIFTON, M.C, EDWARDS, T.E. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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7KBW
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6W08
 | | Crystal Structure of Motility Associated Killing Factor E from Vibrio cholerae | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kim, Y, Jedrzejczak, R, Joachimiak, G, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-29 | | Release date: | 2020-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
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