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4BUD
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BU of 4bud by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-tert- butylphenyl)-1,4-dihydroquinazolin-4-one
分子名称: 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
7ZES
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BU of 7zes by Molmil
Human SLFN11 dimer bound to ssDNA
分子名称: DNA (5'-D(P*CP*GP*CP*GP*T)-3'), MAGNESIUM ION, Schlafen family member 11, ...
著者Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K.
登録日2022-03-31
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
7ZEL
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BU of 7zel by Molmil
Human SLFN11 dimer apoenzyme
分子名称: MAGNESIUM ION, Schlafen family member 11, ZINC ION
著者Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K.
登録日2022-03-31
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
7ZEP
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BU of 7zep by Molmil
Human SLFN11 E209A dimer
分子名称: Schlafen family member 11, ZINC ION
著者Metzner, F.J, Kugler, M, Wenzl, S.J, Lammens, K.
登録日2022-03-31
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanistic understanding of human SLFN11.
Nat Commun, 13, 2022
8AGT
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BU of 8agt by Molmil
Yeast RQC complex in state F
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-20
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
8AGZ
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BU of 8agz by Molmil
Yeast RQC complex in state with the RING domain of Ltn1 in the OUT position
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-20
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
8AGX
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BU of 8agx by Molmil
Yeast RQC complex in state with the RING domain of Ltn1 in the IN position
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-20
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
8AGV
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BU of 8agv by Molmil
Yeast RQC complex in state H
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-20
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
8AAF
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BU of 8aaf by Molmil
Yeast RQC complex in state G
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-01
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
8AGU
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BU of 8agu by Molmil
Yeast RQC complex in state E
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-20
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
4BUI
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BU of 4bui by Molmil
Crystal structure of human tankyrase 2 in complex with methyl 4-(4- oxo-3,4-dihydroquinazolin-2-yl)benzoate
分子名称: GLYCEROL, METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BU8
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BU of 4bu8 by Molmil
Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-1,4- dihydroquinazolin-2-yl)benzonitrile
分子名称: 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BUX
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BU of 4bux by Molmil
Crystal structure of human tankyrase 2 in complex with 3-((4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)methyl)imidazolidine-2,4-dione
分子名称: 3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-24
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
8AGW
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BU of 8agw by Molmil
Yeast RQC complex in state D
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-20
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
8AV9
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BU of 8av9 by Molmil
INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1
分子名称: (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, ...
著者Hargreaves, D.
登録日2022-08-26
公開日2023-05-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Design of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1.
Proc.Natl.Acad.Sci.USA, 120, 2023
4DBW
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BU of 4dbw by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin
分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
著者Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M.
登録日2012-01-16
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献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
4GQ3
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BU of 4gq3 by Molmil
Human menin with bound inhibitor MI-2
分子名称: 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, ...
著者Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T.
登録日2012-08-22
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4BUA
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BU of 4bua by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BUS
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BU of 4bus by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid
分子名称: 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-24
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BUF
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BU of 4buf by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4- acetylphenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BUW
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BU of 4buw by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-24
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
2X0U
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BU of 2x0u by Molmil
STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO A 2-amino substituted benzothiazole scaffold
分子名称: 6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Kaar, J.L, Basse, N, Fersht, A.R.
登録日2009-12-17
公開日2010-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
Chem.Biol., 17, 2010
4EOY
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BU of 4eoy by Molmil
Plasmodium falciparum Atg8 in complex with Plasmodium falciparum Atg3 peptide
分子名称: ACETATE ION, Autophagy-related protein 3, CALCIUM ION, ...
著者Hain, A.U.P, Bosch, J.
登録日2012-04-16
公開日2013-02-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural characterization and inhibition of the Plasmodium Atg8-Atg3 interaction.
J.Struct.Biol., 180, 2012
4DBU
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BU of 4dbu by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid
分子名称: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
登録日2012-01-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.528 Å)
主引用文献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
8BAH
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BU of 8bah by Molmil
Human Mre11-Nbs1 complex
分子名称: Double-strand break repair protein MRE11, MANGANESE (II) ION, Nibrin
著者Bartho, J.D, Rotheneder, M, Stakyte, K, Lammens, K, Hopfner, K.P.
登録日2022-10-11
公開日2023-01-11
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (4.13 Å)
主引用文献Cryo-EM structure of the Mre11-Rad50-Nbs1 complex reveals the molecular mechanism of scaffolding functions.
Mol.Cell, 83, 2023

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