4BUD
 
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-tert- butylphenyl)-1,4-dihydroquinazolin-4-one | | Descriptor: | 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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7ZES
 | | Human SLFN11 dimer bound to ssDNA | | Descriptor: | DNA (5'-D(P*CP*GP*CP*GP*T)-3'), MAGNESIUM ION, Schlafen family member 11, ... | | Authors: | Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K. | | Deposit date: | 2022-03-31 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
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7ZEL
 | | Human SLFN11 dimer apoenzyme | | Descriptor: | MAGNESIUM ION, Schlafen family member 11, ZINC ION | | Authors: | Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K. | | Deposit date: | 2022-03-31 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
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7ZEP
 | | Human SLFN11 E209A dimer | | Descriptor: | Schlafen family member 11, ZINC ION | | Authors: | Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K. | | Deposit date: | 2022-03-31 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
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8AGT
 | | Yeast RQC complex in state F | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
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8AGZ
 | | Yeast RQC complex in state with the RING domain of Ltn1 in the OUT position | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
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8AGX
 | | Yeast RQC complex in state with the RING domain of Ltn1 in the IN position | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
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8AGV
 | | Yeast RQC complex in state H | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
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8AAF
 | | Yeast RQC complex in state G | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | | Deposit date: | 2022-07-01 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
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8AGU
 | | Yeast RQC complex in state E | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
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4BUI
 | | Crystal structure of human tankyrase 2 in complex with methyl 4-(4- oxo-3,4-dihydroquinazolin-2-yl)benzoate | | Descriptor: | GLYCEROL, METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4BU8
 | | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-1,4- dihydroquinazolin-2-yl)benzonitrile | | Descriptor: | 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4BUX
 | | Crystal structure of human tankyrase 2 in complex with 3-((4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)methyl)imidazolidine-2,4-dione | | Descriptor: | 3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-24 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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8AGW
 | | Yeast RQC complex in state D | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
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8AV9
 | | INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1 | | Descriptor: | (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Hargreaves, D. | | Deposit date: | 2022-08-26 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Design of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4DBW
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid | | Authors: | Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
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4GQ3
 | | Human menin with bound inhibitor MI-2 | | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, Menin, ... | | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | | Deposit date: | 2012-08-22 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
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4BUA
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one | | Descriptor: | 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4BUS
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid | | Descriptor: | 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-24 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4BUF
 | | Crystal structure of human tankyrase 2 in complex with 2-(4- acetylphenyl)-3,4-dihydroquinazolin-4-one | | Descriptor: | 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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4BUW
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one | | Descriptor: | 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-24 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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2X0U
 | | STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO A 2-amino substituted benzothiazole scaffold | | Descriptor: | 6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE, CELLULAR TUMOR ANTIGEN P53, ZINC ION | | Authors: | Joerger, A.C, Kaar, J.L, Basse, N, Fersht, A.R. | | Deposit date: | 2009-12-17 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
Chem.Biol., 17, 2010
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4EOY
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4DBU
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid | | Descriptor: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.528 Å) | | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
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8BAH
 | | Human Mre11-Nbs1 complex | | Descriptor: | Double-strand break repair protein MRE11, MANGANESE (II) ION, Nibrin | | Authors: | Bartho, J.D, Rotheneder, M, Stakyte, K, Lammens, K, Hopfner, K.P. | | Deposit date: | 2022-10-11 | | Release date: | 2023-01-11 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4.13 Å) | | Cite: | Cryo-EM structure of the Mre11-Rad50-Nbs1 complex reveals the molecular mechanism of scaffolding functions.
Mol.Cell, 83, 2023
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