8B4E
 
 | | ToxR bacterial transcriptional regulator bound to 25 bp toxT promoter DNA | | Descriptor: | Cholera toxin transcriptional activator, DNA (25-MER) | | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | | Deposit date: | 2022-09-20 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8DPK
 | |
6ES0
 | | Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35 | | Descriptor: | 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2 | | Authors: | Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N. | | Deposit date: | 2017-10-19 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
|
|
8G8W
 | | Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 | | Descriptor: | CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ... | | Authors: | Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S. | | Deposit date: | 2023-02-20 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Sci Adv, 9, 2023
|
|
5IGM
 | | Crystal structure of the bromodomain of human BRD9 in complex with bromosporine (BSP) | | Descriptor: | Bromodomain-containing protein 9, Bromosporine | | Authors: | Tallant, C, Filippakopoulos, P, Picaud, S, Nunez-Alonso, G, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-28 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
|
|
4WJ3
 | | Crystal structure of the asparagine transamidosome from Pseudomonas aeruginosa | | Descriptor: | 76mer-tRNA, Aspartate--tRNA(Asp/Asn) ligase, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, ... | | Authors: | Suzuki, T, Nakamura, A, Kato, K, Tanaka, I, Yao, M. | | Deposit date: | 2014-09-29 | | Release date: | 2014-12-31 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (3.705 Å) | | Cite: | Structure of the Pseudomonas aeruginosa transamidosome reveals unique aspects of bacterial tRNA-dependent asparagine biosynthesis
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
8SF9
 | | Crystal structure of the engineered SsoPox variant IG7 - Alternative state | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
|
|
7ORP
 | | crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide | | Descriptor: | 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
|
|
7R3X
 | | The crystal structure of the L439V variant of Pol2CORE in complex with DNA and an incoming nucleotide | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ACETATE ION, CALCIUM ION, ... | | Authors: | Barbari, S.R, Beach, A.K, Markgren, J.G, Parkash, V, Johansson, E, Shcherbakova, P.V. | | Deposit date: | 2022-02-08 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Enhanced polymerase activity permits efficient synthesis by cancer-associated DNA polymerase ε variants at low dNTP levels.
Nucleic Acids Res., 50, 2022
|
|
6TZ5
 | |
5KXO
 | | Hen Egg White Lysozyme at 278K, Data set 1 | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2016-07-20 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
|
|
6ZY5
 | | Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 1 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
|
|
6EHH
 | | Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gustafsson, R, Narwal, M, Jemth, A.-S, Almlof, I, Warpman Berglund, U, Helleday, T, Stenmark, P. | | Deposit date: | 2017-09-13 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
|
|
4WJX
 | | Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution | | Descriptor: | Chitotriosidase-1, L(+)-TARTARIC ACID | | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | Deposit date: | 2014-10-01 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WG3
 | |
4WK5
 | | Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 | | Descriptor: | Geranyltranstransferase | | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-10-01 | | Release date: | 2014-11-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458
To be published
|
|
5L1L
 | | PostInsertion complex of Human DNA Polymerase Eta bypassing an O6-Methyl-2'-deoxyguanosine : dT site | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*(6OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2016-07-29 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Mechanisms of Insertion of dCTP and dTTP Opposite the DNA Lesion O6-Methyl-2'-deoxyguanosine by Human DNA Polymerase eta.
J.Biol.Chem., 291, 2016
|
|
5IER
 | |
6U86
 | |
4WFA
 | | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with linezolid | | 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: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.392 Å) | | Cite: | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5IHG
 | | The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme a compound I, a platin(II) compound containing a O, S bidentate ligand | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Ferraro, G, Merlino, A. | | Deposit date: | 2016-02-29 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Dalton Trans, 45, 2016
|
|
6U96
 | | Actin phalloidin at BeFx state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Das, S, Ge, P, Durer, Z.A.O, Grintsevich, E.E, Zhou, Z.H, Reisler, E. | | Deposit date: | 2019-09-06 | | Release date: | 2020-05-13 | | Last modified: | 2020-05-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | D-loop Dynamics and Near-Atomic-Resolution Cryo-EM Structure of Phalloidin-Bound F-Actin.
Structure, 28, 2020
|
|
4WGF
 | | YcaC from Pseudomonas aeruginosa with hexane-2,5-diol and covalent acrylamide | | Descriptor: | (2R,5R)-hexane-2,5-diol, CHLORIDE ION, PROPIONAMIDE, ... | | Authors: | Groftehauge, M.K, Truan, D, Vasil, A, Denny, P.W, Vasil, M.L, Pohl, E. | | Deposit date: | 2014-09-18 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34020686 Å) | | Cite: | Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct.
Int J Mol Sci, 16, 2015
|
|
6QO0
 | |
8G7F
 | | Crystal Structure of FosB from Bacillus cereus with Zinc and 1-hydroxypropylphosphonic acid | | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | | Deposit date: | 2023-02-16 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
|
|
