8TP1
 
 | | ATP-2 state of Bcs1 (C7 symmetrized) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1 | | Authors: | Zhan, J, Xia, D. | | Deposit date: | 2023-08-04 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
|
|
6WXW
 | |
8OFB
 | | Crystal Structure of T. maritima reverse gyrase with a minimal latch, hexagonal form | | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Reverse gyrase, ... | | Authors: | Klostermeier, D, Rasche, R, Mhaindarkar, V, Kummel, D, Rudolph, M.G. | | Deposit date: | 2023-03-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
5KCU
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
|
|
6W7W
 | | 30S-Inactive-low-Mg2+ Class B | | Descriptor: | 16S rRNA, 30S ribosomal protein S12, 30S ribosomal protein S15, ... | | Authors: | Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J. | | Deposit date: | 2020-03-19 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
|
|
7KR8
 | |
6VK6
 | | Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | | Deposit date: | 2020-01-18 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
|
|
3HRH
 | | Crystal Structure of Antigen 85C and Glycerol | | Descriptor: | Antigen 85-C, GLYCEROL | | Authors: | Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R. | | Deposit date: | 2009-06-09 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C.
Mol Biosyst, 5, 2009
|
|
7TQ8
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d | | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
|
|
5IM3
 | |
7KUZ
 | |
8FTH
 | | Chaetomium thermophilum SETX - NPPC internal deletion | | Descriptor: | 5'-3' RNA helicase-like protein, ADENOSINE-5'-DIPHOSPHATE | | Authors: | Williams, R.S, Appel, C.D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Sen1 architecture: RNA-DNA hybrid resolution, autoregulation, and insights into SETX inactivation in AOA2.
Mol.Cell, 83, 2023
|
|
7U1H
 | |
6XS4
 | | Crystal structure of glycyl radical enzyme ECL_02896 from Enterobacter cloacae subsp. cloacae | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Formate C-acetyltransferase | | Authors: | Valleau, D, Evdokimova, E, Stogios, P.J, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of glycyl radical enzyme ECL_02896 from Enterobacter cloacae subsp. cloacae.
To Be Published
|
|
8FTK
 | | Chaetomium thermophilum SETX (Full-length) | | Descriptor: | 5'-3' RNA helicase-like protein | | Authors: | Williams, R.S, Appel, C.D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (4.56 Å) | | Cite: | Sen1 architecture: RNA-DNA hybrid resolution, autoregulation, and insights into SETX inactivation in AOA2.
Mol.Cell, 83, 2023
|
|
7L8O
 | | OXA-48 bound by Compound 4.3 | | Descriptor: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
|
|
8A1G
 | | Structure of the SNX1-SNX5 complex | | Descriptor: | N-PROPANOL, Sorting nexin-1, Sorting nexin-5 | | Authors: | Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E.N, Banos-Mateos, S, Vidaurrazaga, A, Rojas, A.L, Castano, D, Hierro, A. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Architecture of the ESCPE-1 membrane coat.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7ZYB
 | | BeKdgF with Ca | | Descriptor: | CALCIUM ION, Cupin, GLYCEROL | | Authors: | Fredslund, F, Teze, D, Welner, D.H. | | Deposit date: | 2022-05-24 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | BeKdgF with Ca
To Be Published
|
|
5CX8
 | | Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis. | | Descriptor: | 3-deoxy-5-O-phosphono-beta-D-ribofuranose, 3-deoxy-beta-D-glucopyranose, 6-O-phosphono-D-tagatose, ... | | Authors: | Goulas, T, Garcia-Ferrer, I, Hutcherson, J.A, Potempa, B.A, Potempa, J, Scott, D.A, Gomis-Ruth, F.X. | | Deposit date: | 2015-07-28 | | Release date: | 2015-10-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of RagB, a major immunodominant outer-membrane surface receptor antigen of Porphyromonas gingivalis.
Mol Oral Microbiol, 31, 2016
|
|
7ZYC
 | | BeKdgF with Zn | | Descriptor: | Cupin, GLYCEROL, ZINC ION | | Authors: | Fredslund, F, Teze, D, Welner, D.H. | | Deposit date: | 2022-05-24 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | BeKdgF with Ca
To Be Published
|
|
7U1I
 | |
6W22
 | | ClpA Engaged1 State bound to RepA-GFP (ClpA Focused Refinement) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | | Authors: | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | | Deposit date: | 2020-03-04 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis.
Nat.Struct.Mol.Biol., 27, 2020
|
|
5I3X
 | | Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6 | | Descriptor: | Beta-secretase 1, GLYCEROL, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2016-02-11 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
|
|
6GG6
 | | Crystal structure of M2 PYK in complex with Serine. | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | | Deposit date: | 2018-05-02 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
|
|
4YJQ
 | | SYK kinase domain in complex with inhibitor GTC000224 | | Descriptor: | 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK | | Authors: | Somers, D.O, Neu, M, Stuckey, J. | | Deposit date: | 2015-03-03 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
|
|
