7RBI
 
 | | Human DNA polymerase beta crosslinked complex, 20 s Ca to Mg exchange | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | Authors: | Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5FBM
 | | Crystal Structure of Histone Like Protein (HLP) from Streptococcus mutans Refined to 1.9 A Resolution | | Descriptor: | DNA-binding protein HU | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, O'Neil, P, Biswas, I. | | Deposit date: | 2015-12-14 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of histone-like protein from Streptococcus mutans refined to 1.9 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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6P26
 | | Escherichia coli tRNA synthetase in complex with compound 1 | | Descriptor: | N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Kahne, D, Baidin, V, Owens, T.W. | | Deposit date: | 2019-05-21 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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6HA0
 | | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens | | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | | Deposit date: | 2018-08-06 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens.
Plos Pathog., 15, 2019
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6H4Y
 | | Crystal structure of human KDM4A in complex with compound 17e | | Descriptor: | 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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6BWA
 | | Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 2 | | Descriptor: | Importin subunit alpha-3, Protein W | | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | | Deposit date: | 2017-12-14 | | Release date: | 2018-07-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
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5TYT
 | | Crystal Structure of the PDZ domain of RhoGEF bound to CXCR2 C-terminal peptide | | Descriptor: | Rho guanine nucleotide exchange factor 11, C-X-C chemokine receptor type 2 chimera | | Authors: | Spellmon, N, Holcomb, J, Niu, A, Choudhary, V, Sun, X, Brunzelle, J, Li, C, Yang, Z. | | Deposit date: | 2016-11-21 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Structural basis of PDZ-mediated chemokine receptor CXCR2 scaffolding by guanine nucleotide exchange factor PDZ-RhoGEF.
Biochem. Biophys. Res. Commun., 485, 2017
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6Z45
 | | CDK9-Cyclin-T1 complex bound by compound 24 | | Descriptor: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-05-22 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
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7RBM
 | | Human DNA polymerase beta crosslinked complex, 60 s Ca to Mn exchange | | Descriptor: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | Authors: | Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6HAB
 | | Crystal structure of BiP V461F (apo) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP | | Authors: | Yan, Y, Ron, D. | | Deposit date: | 2018-08-07 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
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7JTL
 | | Structure of SARS-CoV-2 ORF8 accessory protein | | Descriptor: | ORF8 protein, SODIUM ION | | Authors: | Flower, T.G, Buffalo, C.Z, Hooy, R.M, Allaire, M, Ren, X, Hurley, J.H. | | Deposit date: | 2020-08-18 | | Release date: | 2020-08-26 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of SARS-CoV-2 ORF8, a rapidly evolving immune evasion protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8BJK
 | | X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor CPD11352 | | Descriptor: | Histone deacetylase 6, POTASSIUM ION, ZINC ION, ... | | Authors: | Barinka, C, Motlova, L, Pavlicek, J. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6).
Acs Chem.Biol., 18, 2023
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5U06
 | | Grb7-SH2 with bicyclic peptide inhibitor containing a pY mimetic | | Descriptor: | Growth factor receptor-bound protein 7, POTASSIUM ION, bicyclic peptide inhibitor: LYS-PHE-GLU-GLY-CMF-ASP-ASN-GLU-CST | | Authors: | Watson, G.M, Wilce, J.A. | | Deposit date: | 2016-11-22 | | Release date: | 2017-11-15 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
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6P96
 | | OXA-48 carbapanemase, apo form | | Descriptor: | Beta-lactamase, CADMIUM ION, CALCIUM ION, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2019-06-10 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
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8BK6
 | | A truncated structure of LpMIP with bound inhibitor JK095. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase | | Authors: | Whittaker, J.J, Guskov, A, Hellmich, A.U, Goretzki, B. | | Deposit date: | 2022-11-08 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.263 Å) | | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
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7JTM
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST | | Descriptor: | Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | | Authors: | Sack, J.S. | | Deposit date: | 2020-08-18 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization.
Bioorg.Med.Chem.Lett., 30, 2020
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7RBO
 | | Human DNA polymerase beta crosslinked complex, 60 min Ca to Mg exchange | | Descriptor: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | | Authors: | Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6Z4K
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8BT9
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6H5M
 | | MamM CTD H264E - Zinc form 1 | | Descriptor: | BETA-MERCAPTOETHANOL, Magnetosome protein MamM, Cation efflux protein family, ... | | Authors: | Barber-Zucker, S, Zarivach, R. | | Deposit date: | 2018-07-25 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | MamM CTD H264E - Zinc form 1
To Be Published
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8B4U
 | | The crystal structure of PET46, a PETase enzyme from Candidatus bathyarchaeota | | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta hydrolase, CHLORIDE ION, ... | | Authors: | Costanzi, E, Applegate, V, Schumacher, J, Smits, S.H.J. | | Deposit date: | 2022-09-21 | | Release date: | 2023-08-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate.
Commun Chem, 6, 2023
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5TZH
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluorophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | | Descriptor: | MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone, ... | | Authors: | Xu, R, Aertgeerts, K. | | Deposit date: | 2016-11-21 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
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6P9C
 | | OXA-48 carbapanemase, doripenem complex | | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2019-06-10 | | Release date: | 2019-08-07 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
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6C8W
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7JUB
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