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3LPU
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BU of 3lpu by Molmil
HIV integrase
分子名称: (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ...
著者Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z.
登録日2010-02-06
公開日2010-05-12
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
3LPT
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BU of 3lpt by Molmil
HIV integrase
分子名称: (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ...
著者Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z.
登録日2010-02-05
公開日2010-05-12
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
7ALX
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BU of 7alx by Molmil
Sav-SOD: Chimeric Streptavidin-cSOD as Host for Artificial Metalloenzymes
分子名称: ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold, Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin
著者Igareta, N.V, Christoffel, F, Peterson, R.L, Ward, T.R.
登録日2020-10-07
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and evolution of chimeric streptavidin for protein-enabled dual gold catalysis
Nat Catal, 4, 2021
4IKF
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BU of 4ikf by Molmil
PFV intasome with inhibitor MB-76
分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
著者Taltynov, O, Demeulemeester, J, Desimmie, B.A, Suchaud, V, Billamboz, M, Lion, C, Bailly, F, Debyser, Z, Cotelle, P, Christ, F, Strelkov, S.V.
登録日2012-12-26
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献2-Hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs), novel inhibitors of HIV integrase with a high barrier to resistance.
Acs Chem.Biol., 8, 2013
2N3A
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BU of 2n3a by Molmil
Solution structure of LEDGF/p75 IBD in complex with POGZ peptide (1389-1404)
分子名称: PC4 and SFRS1-interacting protein, Pogo transposable element with ZNF domain
著者Tesina, P, Cermakova, K, Horejsi, M, Prochazkova, K, Fabry, M, Sharma, S, Christ, F, Demeulemeester, J, Debyser, Z, De Rijck, J, Veverka, V, Rezacova, P.
登録日2015-05-26
公開日2015-08-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Multiple cellular proteins interact with LEDGF/p75 through a conserved unstructured consensus motif.
Nat Commun, 6, 2015
3EY4
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BU of 3ey4 by Molmil
Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
分子名称: (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J.D, Jordan, S.R, Li, V.
登録日2008-10-17
公開日2008-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
To be Published, 2008
6T3I
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BU of 6t3i by Molmil
Solution structure of the HRP2 IBD
分子名称: Hepatoma-derived growth factor-related protein 2
著者Veverka, V.
登録日2019-10-11
公開日2020-11-18
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Unlike Its Paralog LEDGF/p75, HRP-2 Is Dispensable for MLL-R Leukemogenesis but Important for Leukemic Cell Survival.
Cells, 10, 2021
5YI9
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BU of 5yi9 by Molmil
Solution structure of the LEDGF/p75 IBD - JPO2 (aa 56-91) complex
分子名称: PC4 and SFRS1-interacting protein,Cell division cycle-associated 7-like protein
著者Veverka, V.
登録日2017-10-03
公開日2018-08-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6TRJ
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BU of 6trj by Molmil
LEDGF/p75 IBD dimer
分子名称: PC4 and SFRS1-interacting protein
著者Kugler, M, Brynda, J.
登録日2019-12-19
公開日2020-09-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fine-tuning of the LEDGF/p75 interaction network by dimerization
Structure
6TVM
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BU of 6tvm by Molmil
LEDGF/p75 dimer (residues 345-467)
分子名称: PC4 and SFRS1-interacting protein
著者Lux, V, Veverka, V.
登録日2020-01-10
公開日2020-09-09
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Molecular Mechanism of LEDGF/p75 Dimerization.
Structure, 28, 2020
6EMR
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BU of 6emr by Molmil
Solution structure of the LEDGF/p75 IBD - IWS1 (aa 446-548) complex
分子名称: PC4 and SFRS1-interacting protein,Protein IWS1 homolog
著者Veverka, V.
登録日2017-10-03
公開日2018-07-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMP
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BU of 6emp by Molmil
Solution structure of the LEDGF/p75 IBD - POGZ (aa 1370-1404) complex
分子名称: PC4 and SFRS1-interacting protein,Pogo transposable element with ZNF domain
著者Veverka, V.
登録日2017-10-03
公開日2018-07-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMO
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BU of 6emo by Molmil
Solution structure of the LEDGF/p75 IBD - JPO2 (aa 1-32) complex
分子名称: PC4 and SFRS1-interacting protein,LEDGF/p75 IBD-JPO2 M1
著者Veverka, V.
登録日2017-10-03
公開日2018-07-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMQ
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BU of 6emq by Molmil
Solution structure of the LEDGF/p75 IBD - MLL1 (aa 111-160) complex
分子名称: PC4 and SFRS1-interacting protein,Histone-lysine N-methyltransferase 2A
著者Veverka, V.
登録日2017-10-03
公開日2018-08-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4OL0
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BU of 4ol0 by Molmil
Crystal structure of transportin-SR2, a karyopherin involved in human disease, in complex with Ran
分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Tsirkone, V.G, Strelkov, S.V.
登録日2014-01-23
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of transportin SR2, a karyopherin involved in human disease, in complex with Ran.
Acta Crystallogr.,Sect.F, 70, 2014
6I6F
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BU of 6i6f by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 1
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ...
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-15
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I6V
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BU of 6i6v by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 6
分子名称: 1,2-ETHANEDIOL, 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-15
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I6P
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BU of 6i6p by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3
分子名称: 1,2-ETHANEDIOL, 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-15
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I6C
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BU of 6i6c by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2
分子名称: (1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-15
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I6T
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BU of 6i6t by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-15
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I79
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SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 4
分子名称: 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-16
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019

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