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5V9P
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Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A
分子名称: Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5VAR
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BU of 5var by Molmil
Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine competitive inhibitor
分子名称: (1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol, Lysine-specific demethylase 4A
著者Judge, R.A, Upadhyay, A.K.
登録日2017-03-27
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach.
Bioorg. Med. Chem. Lett., 28, 2018
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)
分子名称: Protein dpy-30 homolog, SULFATE ION, Set1/Ash2 histone methyltransferase complex subunit ASH2
著者Tremblay, V, Couture, J.-F.
登録日2014-10-07
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Molecular Basis for DPY-30 Association to COMPASS-like and NURF Complexes.
Structure, 22, 2014
5KR7
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KDM4C bound to pyrazolo-pyrimidine scaffold
分子名称: 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CHLORIDE ION, FE (II) ION, ...
著者Bellon, S.F, Poy, F, Setser, J.W.
登録日2016-07-07
公開日2016-08-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of potent, selective KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5V9T
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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)
分子名称: Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
1WEN
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BU of 1wen by Molmil
Solution structure of PHD domain in ING1-like protein BAC25079
分子名称: ZINC ION, inhibitor of growth family, member 4; ING1-like protein
著者He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-25
公開日2004-11-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of PHD domain in ING1-like protein BAC25079
To be Published
4QL1
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BU of 4ql1 by Molmil
Crystal structure of human WDR5 in complex with compound OICR-9429
分子名称: 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, ...
著者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)
登録日2014-06-10
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
1WEU
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BU of 1weu by Molmil
Solution structure of PHD domain in ING1-like protein BAC25009
分子名称: ZINC ION, inhibitor of growth family, member 4
著者He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-25
公開日2004-11-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献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
分子名称: PHD finger family protein, ZINC ION
著者He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-24
公開日2004-11-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of PHD domain in nucleic acid binding protein-like NP_197993
To be Published
1WES
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BU of 1wes by Molmil
Solution structure of PHD domain in inhibitor of growth family, member 1-like
分子名称: ZINC ION, inhibitor of growth family, member 1-like
著者He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-25
公開日2004-11-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献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)
分子名称: Inhibitor of growth protein 3, ZINC ION
著者He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-14
公開日2005-11-14
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of PHD domain in inhibitor of growth protein 3 (ING3)
To be Published
6L87
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BU of 6l87 by Molmil
Solution structure of the tandem PWWP-ARID domains of human RBBP1
分子名称: AT-rich interactive domain-containing protein 4A
著者Gong, W.B, Perrett, S, Feng, Y.G.
登録日2019-11-05
公開日2021-01-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insight into chromatin recognition by multiple domains of the tumor suppressor RBBP1.
J.Mol.Biol., 2021
2MUM
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BU of 2mum by Molmil
Solution structure of the PHD domain of Yeast YNG2
分子名称: Chromatin modification-related protein YNG2, ZINC ION
著者Taeb, S, Kaustov, L, Lemak, A, Farhadi, S, Sheng, Y.
登録日2014-09-12
公開日2014-12-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the PHD domain of Yeast YNG2
To be Published
7XE1
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BU of 7xe1 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-PCPA
分子名称: 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2022-03-29
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE2
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BU of 7xe2 by Molmil
Crystal structure of LSD2 in complex with trans-4-Br-PCPA
分子名称: 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2022-03-29
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE3
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Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
分子名称: 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2022-03-29
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
2NS2
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BU of 2ns2 by Molmil
Crystal Structure of Spindlin1
分子名称: PHOSPHATE ION, Spindlin-1
著者Zhao, Q, Qin, L, Jiang, F, Wu, B, Yue, W, Xu, F, Rong, Z, Yuan, H, Xie, X, Gao, Y, Bai, C, Bartlam, M.
登録日2006-11-02
公開日2006-11-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human spindlin1. Tandem tudor-like domains for cell cycle regulation
J.Biol.Chem., 282, 2007
7Y0I
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BU of 7y0i by Molmil
Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide
分子名称: ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION
著者Yu, M, Zeng, L.
登録日2022-06-05
公開日2022-10-12
実験手法SOLUTION NMR
主引用文献Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer.
Front Oncol, 12, 2022
7ZEV
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BU of 7zev by Molmil
Free form of extended Cyp33-RRM
分子名称: Peptidyl-prolyl cis-trans isomerase E
著者Blatter, M, Allain, F, Meylan, C.
登録日2022-03-31
公開日2022-04-13
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription.
Sci Adv, 9, 2023
7ZEW
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BU of 7zew by Molmil
Complex Cyp33-RRM : AAUAAA RNA
分子名称: Peptidyl-prolyl cis-trans isomerase E, RNA (5'-R(*AP*AP*UP*AP*AP*A)-3')
著者Blatter, M, Allain, F, Meylan, C.
登録日2022-03-31
公開日2022-04-13
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献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
分子名称: Isoform 3 of Peptidyl-prolyl cis-trans isomerase E, RNA (5'-R(*UP*AP*AP*UP*GP*UP*CP*G)-3')
著者Blatter, M, Allain, F, Meylan, C.
登録日2022-03-31
公開日2022-05-04
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription.
Sci Adv, 9, 2023
2PUY
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BU of 2puy by Molmil
Crystal Structure of the BHC80 PHD finger
分子名称: Histone H3, PHD finger protein 21A, ZINC ION
著者Horton, J.R, Cheng, X, Collins, R.E.
登録日2007-05-09
公開日2007-08-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Recognition of unmethylated histone H3 lysine 4 links BHC80 to LSD1-mediated gene repression.
Nature, 448, 2007
5L3D
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BU of 5l3d by Molmil
Human LSD1/CoREST: LSD1 Y761H mutation
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1
著者Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A.
登録日2016-04-06
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors.
Hum.Mol.Genet., 25, 2016
5L3B
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BU of 5l3b by Molmil
Human LSD1/CoREST: LSD1 D556G mutation
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1
著者Pilotto, S, Speranzini, V, Marabelli, C.
登録日2016-04-06
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors.
Hum.Mol.Genet., 25, 2016
5L3C
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Human LSD1/CoREST: LSD1 E379K mutation
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1
著者Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A.
登録日2016-04-06
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors.
Hum.Mol.Genet., 25, 2016

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