6WE3
 
 | | Human PARP14 (ARTD8), catalytic fragment in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
|
|
7UVM
 | | Crystal structure of human ClpP protease in complex with TR-27 | | Descriptor: | (10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Mabanglo, M.F, Houry, W.A. | | Deposit date: | 2022-05-02 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
|
|
6WE2
 | | Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759 | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14 | | Authors: | Swinger, K.K, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
|
|
7UVN
 | | Crystal structure of human ClpP protease in complex with TR-57 | | Descriptor: | 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Mabanglo, M.F, Houry, W.A. | | Deposit date: | 2022-05-02 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
|
|
6WLA
 | | Antigen binding fragment of ch128.1 | | Descriptor: | Fab ch128.1 heavy chain, Fab ch128.1 light chain, GLYCEROL | | Authors: | Helguera, G, Rodriguez, J.A, Sawaya, M, Cascio, D, Zink, S, Ziegenbein, J, Short, C. | | Deposit date: | 2020-04-18 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Host receptor-targeted therapeutic approach to counter pathogenic New World mammarenavirus infections.
Nat Commun, 13, 2022
|
|
6WE4
 | | Human PARP14 (ARTD8), catalytic fragment in complex with compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one, ... | | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
|
|
6X2L
 | | hEAAT3-IFS-Na | | Descriptor: | Excitatory amino acid transporter 3 | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-20 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
|
|
6X2Z
 | | hEAAT3-OFS-Asp | | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
|
|
5E6B
 | | Glucocorticoid receptor DNA binding domain - RELB NF-kB response element complex | | Descriptor: | DNA (5'-D(*CP*CP*GP*GP*GP*GP*AP*AP*TP*TP*CP*CP*GP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*AP*AP*TP*TP*CP*CP*CP*CP*GP*G)-3'), Glucocorticoid receptor, ... | | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | | Deposit date: | 2015-10-09 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
|
|
4GSV
 | |
6X3E
 | | hEAAT3-Asymmetric-1o2i | | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
|
|
6X3F
 | | hEAAT3-IFS-Apo | | Descriptor: | CHOLINE ION, Excitatory amino acid transporter 3 | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
|
|
5E7R
 | | Crystal structure of TL10-81 bound to TAK1-TAB1 | | Descriptor: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D. | | Deposit date: | 2015-10-13 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
|
|
7B88
 | | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | | Descriptor: | 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
J.Med.Chem., 64, 2021
|
|
7UI0
 | | Post-fusion ectodomain of HSV-1 gB in complex with HSV010-13 Fab | | Descriptor: | Envelope glycoprotein B, HSV10-13 Fab Heavy chain, HSV10-13 Light chain | | Authors: | Windsor, I.W, Kong, S.L, Garforth, S.J, Almo, S.C, Harrison, S.C. | | Deposit date: | 2022-03-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A non-neutralizing glycoprotein B monoclonal antibody protects against herpes simplex virus disease in mice.
J.Clin.Invest., 133, 2023
|
|
7CAC
 | | SARS-CoV-2 S trimer with one RBD in the open state and complexed with one H014 Fab. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H014 Fab, ... | | Authors: | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X. | | Deposit date: | 2020-06-08 | | Release date: | 2021-02-24 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
|
|
5V62
 | | Phospho-ERK2 bound to bivalent inhibitor SBP3 | | Descriptor: | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ... | | Authors: | Lechtenberg, B.C, Riedl, S.J. | | Deposit date: | 2017-03-15 | | Release date: | 2017-07-26 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
|
|
7UHZ
 | | Post-fusion ectodomain of HSV-1 gB in complex with BMPC-23 Fab | | Descriptor: | BMPC-23 Fab Heavy chain, BMPC-23 Fab Light chain, Envelope glycoprotein B | | Authors: | Windsor, I.W, Kong, S.L, Garforth, S.J, Almo, S.C, Harrison, S.C. | | Deposit date: | 2022-03-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A non-neutralizing glycoprotein B monoclonal antibody protects against herpes simplex virus disease in mice.
J.Clin.Invest., 133, 2023
|
|
5EAF
 | | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Fluquinconazole | | Descriptor: | 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | | Deposit date: | 2015-10-16 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
|
|
5WDF
 | |
5VB5
 | | X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide | | Descriptor: | N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... | | Authors: | Li, X. | | Deposit date: | 2017-03-28 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.226 Å) | | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
|
|
4GZ2
 | | Mus Musculus Tdp2 excluded ssDNA complex | | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*AP*AP*TP*TP*CP*G)-3'), FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Schellenberg, M.J, Williams, R.S. | | Deposit date: | 2012-09-05 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of repair of 5'-topoisomerase II-DNA adducts by mammalian tyrosyl-DNA phosphodiesterase 2.
Nat.Struct.Mol.Biol., 19, 2012
|
|
4H2I
 | | Human ecto-5'-nucleotidase (CD73): crystal form III (closed) in complex with AMPCP | | Descriptor: | 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. | | Deposit date: | 2012-09-12 | | Release date: | 2012-11-28 | | Last modified: | 2018-06-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
|
|
4GZF
 | | Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide | | Descriptor: | LrF peptide, Protease | | Authors: | Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C. | | Deposit date: | 2012-09-06 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
|
|
5WGI
 | |
