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7ZEW
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Complex Cyp33-RRM : AAUAAA RNA
Descriptor: Peptidyl-prolyl cis-trans isomerase E, RNA (5'-R(*AP*AP*UP*AP*AP*A)-3')
Authors:Blatter, M, Allain, F, Meylan, C.
Deposit date:2022-03-31
Release date:2022-04-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription.
Sci Adv, 9, 2023
7ZEV
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BU of 7zev by Molmil
Free form of extended Cyp33-RRM
Descriptor: Peptidyl-prolyl cis-trans isomerase E
Authors:Blatter, M, Allain, F, Meylan, C.
Deposit date:2022-03-31
Release date:2022-04-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription.
Sci Adv, 9, 2023
7ZEX
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BU of 7zex by Molmil
Complex Cyp33-RRMdelta alpha : UAAUGUCG RNA
Descriptor: Isoform 3 of Peptidyl-prolyl cis-trans isomerase E, RNA (5'-R(*UP*AP*AP*UP*GP*UP*CP*G)-3')
Authors:Blatter, M, Allain, F, Meylan, C.
Deposit date:2022-03-31
Release date:2022-05-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription.
Sci Adv, 9, 2023
1WEN
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BU of 1wen by Molmil
Solution structure of PHD domain in ING1-like protein BAC25079
Descriptor: ZINC ION, inhibitor of growth family, member 4; ING1-like protein
Authors:He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-25
Release date:2004-11-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of PHD domain in ING1-like protein BAC25079
To be Published
1WEU
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BU of 1weu by Molmil
Solution structure of PHD domain in ING1-like protein BAC25009
Descriptor: ZINC ION, inhibitor of growth family, member 4
Authors:He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-25
Release date:2004-11-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of PHD domain in ING1-like protein BAC25009
To be Published
1WE9
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BU of 1we9 by Molmil
Solution structure of PHD domain in nucleic acid binding protein-like NP_197993
Descriptor: PHD finger family protein, ZINC ION
Authors:He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-24
Release date:2004-11-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of PHD domain in nucleic acid binding protein-like NP_197993
To be Published
5XMY
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BU of 5xmy by Molmil
Crystal structure of TAF3 PHD finger bound to H3K4me3Q5ser
Descriptor: Histone peptide H3(1-15)K4me3Q5ser, Transcription initiation factor TFIID subunit 3, ZINC ION
Authors:Zhao, S, Zhang, B, Li, H.
Deposit date:2017-05-16
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structure of TAF3 PHD finger bound to H3K4me3Q5ser
to be published
7ZEY
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BU of 7zey by Molmil
Complex Cyp33-RRM : MLL1-PHD3
Descriptor: MLL cleavage product N320, Peptidyl-prolyl cis-trans isomerase E, ZINC ION
Authors:Blatter, M, Allain, F, Meylan, C.
Deposit date:2022-03-31
Release date:2022-04-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription.
Sci Adv, 9, 2023
1WES
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BU of 1wes by Molmil
Solution structure of PHD domain in inhibitor of growth family, member 1-like
Descriptor: ZINC ION, inhibitor of growth family, member 1-like
Authors:He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-25
Release date:2004-11-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of PHD domain in inhibitor of growth family, member 1-like
To be Published
1X4I
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BU of 1x4i by Molmil
Solution structure of PHD domain in inhibitor of growth protein 3 (ING3)
Descriptor: Inhibitor of growth protein 3, ZINC ION
Authors:He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-14
Release date:2005-11-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of PHD domain in inhibitor of growth protein 3 (ING3)
To be Published
6WKR
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BU of 6wkr by Molmil
PRC2-AEBP2-JARID2 bound to H2AK119ub1 nucleosome
Descriptor: DNA (314-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Kasinath, V, Nogales, E, Beck, C, Sauer, P, Poepsel, S, Kosmatka, J, Faini, M, Toso, D, Aebersold, R.
Deposit date:2020-04-16
Release date:2021-02-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:JARID2 and AEBP2 regulate PRC2 in the presence of H2AK119ub1 and other histone modifications.
Science, 371, 2021
4QL1
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BU of 4ql1 by Molmil
Crystal structure of human WDR5 in complex with compound OICR-9429
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-10
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
4RIQ
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BU of 4riq by Molmil
Crystal structure of DPY-30 dimerization/docking domain in complex with Ash2L Sdc1-DPY-30 Interacting region (SDI)
Descriptor: Protein dpy-30 homolog, SULFATE ION, Set1/Ash2 histone methyltransferase complex subunit ASH2
Authors:Tremblay, V, Couture, J.-F.
Deposit date:2014-10-07
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:Molecular Basis for DPY-30 Association to COMPASS-like and NURF Complexes.
Structure, 22, 2014
2XAS
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BU of 2xas by Molmil
Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e)
Descriptor: 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
Authors:Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
2XAH
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BU of 2xah by Molmil
Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine
Descriptor: 3-PHENYLPROPANAL, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
Authors:Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
5A3W
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BU of 5a3w by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-03
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A1H
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BU of 5a1h by Molmil
Crystal structure of human Spindlin3
Descriptor: SPINDLIN-3
Authors:Srikannathasan, V, Gileadi, C, Johansson, C, Shrestha, L, Tallon, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2015-04-30
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Spindlin3
To be Published
5A1F
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BU of 5a1f by Molmil
Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
Authors:Srikannathasan, V, Johansson, C, Strain-Damerell, C, Gileadi, C, Szykowska, A, Kupinska, K, Kopec, J, Krojer, T, Steuber, H, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-04-29
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3T
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BU of 5a3t by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid).
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-17
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
2XAJ
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BU of 2xaj by Molmil
Crystal structure of LSD1-CoREST in complex with (-)-trans-2- phenylcyclopropyl-1-amine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, PHENYLETHYLENECARBOXYLIC ACID, ...
Authors:Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
5A3P
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BU of 5a3p by Molmil
Crystal structure of the catalytic domain of human PLU1 (JARID1B).
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
Authors:Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Tallant, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
2XAF
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BU of 2xaf by Molmil
Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine
Descriptor: 3-(4-BROMOPHENYL)PROPANAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
Authors:Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
7BCY
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BU of 7bcy by Molmil
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
Descriptor: ORF 73, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-21
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7BED
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BU of 7bed by Molmil
X-ray structure of WDR5 bound to the WDR5 win motif peptide
Descriptor: SULFATE ION, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-23
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
5V9T
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BU of 5v9t by Molmil
Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48)
Descriptor: Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ...
Authors:Kiefer, J.R, Liang, J, Vinogradova, M.
Deposit date:2017-03-23
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017

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