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5AR1
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BU of 5ar1 by Molmil
Crystal structure of Cdc11 from Saccharomyces cerevisiae
Descriptor: CELL DIVISION CONTROL PROTEIN 11
Authors:Brausemann, A, Gerhardt, S, Schott, A.K, Einsle, O, Grosse-Berkenbusch, A, Johnsson, N, Gronemeyer, T.
Deposit date:2015-09-23
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Cdc11, a Septin Subunit from Saccharomyces Cerevisiae.
J.Struct.Biol., 193, 2016
2MUZ
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BU of 2muz by Molmil
ssNMR structure of a designed rocker protein
Descriptor: designed rocker protein
Authors:Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M.
Deposit date:2014-09-18
Release date:2014-12-24
Last modified:2015-01-14
Method:SOLUTION NMR
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
9BPA
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BU of 9bpa by Molmil
Human DNA polymerase theta helicase domain in complex with inhibitor AB25583, tetramer form
Descriptor: (4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide, DNA polymerase theta
Authors:Ito, F, Li, Z, Chen, X.S.
Deposit date:2024-05-07
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis for a Pol theta helicase small-molecule inhibitor revealed by cryo-EM.
Nat Commun, 15, 2024
9BP9
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BU of 9bp9 by Molmil
Human DNA polymerase theta helicase domain in complex with inhibitor AB25583, dimer form
Descriptor: (4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide, DNA polymerase theta
Authors:Ito, F, Li, Z, Chen, X.S.
Deposit date:2024-05-07
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis for a Pol theta helicase small-molecule inhibitor revealed by cryo-EM.
Nat Commun, 15, 2024
8GD7
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BU of 8gd7 by Molmil
Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate, DNA Primer, ...
Authors:Fried, W.A, Chen, X.S, Li, S.X.
Deposit date:2023-03-03
Release date:2024-06-19
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Discovery of a small-molecule inhibitor that traps Pol theta on DNA and synergizes with PARP inhibitors.
Nat Commun, 15, 2024
8GCC
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BU of 8gcc by Molmil
T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor CT1
Descriptor: 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one, DNA (28-MER), DNA topoisomerase 2
Authors:Schenk, A, Deniston, C, Noeske, J.
Deposit date:2023-03-01
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cyanotriazoles are selective topoisomerase II poisons that rapidly cure trypanosome infections.
Science, 380, 2023
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
Deposit date:2020-12-11
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
8OOJ
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BU of 8ooj by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with EdC and UDP
Descriptor: 4-azanyl-1-[(2~{R},4~{S},5~{R})-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Saez-Ayala, M, Rebuffet, E, Betzi, S, Morelli, X.
Deposit date:2023-04-05
Release date:2023-12-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:4'-Ethynyl-2'-Deoxycytidine (EdC) Preferentially Targets Lymphoma and Leukemia Subtypes by Inducing Replicative Stress.
Mol.Cancer Ther., 23, 2024
5J7D
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BU of 5j7d by Molmil
Computationally Designed Thioredoxin dF106
Descriptor: COPPER (II) ION, Designed Thioredoxin dF106
Authors:Horowitz, S, Johansen, N, Olsen, J.G, Winther, J.R.
Deposit date:2016-04-06
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational Redesign of Thioredoxin Is Hypersensitive toward Minor Conformational Changes in the Backbone Template.
J.Mol.Biol., 428, 2016
8PFH
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BU of 8pfh by Molmil
Crystal structure of the yeast septin complex Shs1-Cdc12-Cdc3-Cdc10
Descriptor: CDC10 isoform 1, CDC12 isoform 1, Cell division control protein 3, ...
Authors:Grupp, B, Denkhaus, L, Gerhardt, S, Gronemeyer, T.
Deposit date:2023-06-16
Release date:2023-12-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:The structure of a tetrameric septin complex reveals a hydrophobic element essential for NC-interface integrity.
Commun Biol, 7, 2024

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PDB entries from 2024-09-18

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