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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
6E2H
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BU of 6e2h by Molmil
Crystal structure of human Ash2L (SPRY domain and SDI motif) in complex with full length DPY-30
Descriptor: Protein dpy-30 homolog, Set1/Ash2 histone methyltransferase complex subunit ASH2
Authors:Joshi, M, Brunzelle, J.S, Couture, J.F.
Deposit date:2018-07-11
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.236 Å)
Cite:Structural Analysis of the Ash2L/Dpy-30 Complex Reveals a Heterogeneity in H3K4 Methylation.
Structure, 26, 2018
7OCB
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BU of 7ocb by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine, CHLORIDE ION, ...
Authors:Johansson, C, Krojer, T, Park, K, Xiong, Y, Jin, J, Oppermann, U.
Deposit date:2021-04-26
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
To Be Published
6TE1
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BU of 6te1 by Molmil
Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
Descriptor: 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Pasqualato, S, Cecatiello, V.
Deposit date:2019-11-11
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models.
Acs Med.Chem.Lett., 11, 2020
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
7E9M
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BU of 7e9m by Molmil
Crystal Structure of Spindlin1 bound to SPINDOC Docpep3
Descriptor: Peptide from Spindlin interactor and repressor of chromatin-binding protein, Spindlin-1
Authors:Zhao, F, Li, H.
Deposit date:2021-03-04
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis for SPINDOC-Spindlin1 engagement and its role in transcriptional inhibition
to be published
7EA1
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BU of 7ea1 by Molmil
Crystal Structure of Spindlin1 bound to SPINDOC Docpep2
Descriptor: Peptide from Spindlin interactor and repressor of chromatin-binding protein, Spindlin-1
Authors:Zhao, F, Li, H.
Deposit date:2021-03-05
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for SPINDOC-Spindlin1 engagement and its role in transcriptional inhibition
to be published
4C1Q
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BU of 4c1q by Molmil
Crystal structure of the PRDM9 SET domain in complex with H3K4me2 and AdoHcy.
Descriptor: GLYCEROL, HISTONE H3.1, HISTONE-LYSINE N-METHYLTRANSFERASE PRDM9, ...
Authors:Mathioudakis, N, Cusack, S, Kadlec, J.
Deposit date:2013-08-13
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis for the Regulation of the H3K4 Methyltransferase Activity of Prdm9.
Cell Rep., 5, 2013
7K7T
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BU of 7k7t by Molmil
Crystal structure of human MORC4 ATPase-CW in complex with AMPPNP
Descriptor: Isoform 3 of MORC family CW-type zinc finger protein 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Klein, B.J, Tencer, A.H, Kutateladze, T.G.
Deposit date:2020-09-24
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Molecular mechanism of the MORC4 ATPase activation.
Nat Commun, 11, 2020
4FWJ
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BU of 4fwj by Molmil
Native structure of LSD2/AOF1/KDM1b in spacegroup of I222 at 2.9A
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, PHOSPHATE ION, ...
Authors:Zhang, Q, Chen, Z.
Deposit date:2012-07-01
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
4FWE
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BU of 4fwe by Molmil
Native structure of LSD2 /AOF1/KDM1b in spacegroup of C2221 at 2.13A
Descriptor: CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ...
Authors:Zhang, Q, Chen, Z.
Deposit date:2012-07-01
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
2GF7
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BU of 2gf7 by Molmil
Double tudor domain structure
Descriptor: Jumonji domain-containing protein 2A, SULFATE ION
Authors:Huang, Y, Fang, J, Bedford, M.T, Zhang, Y, Xu, R.M.
Deposit date:2006-03-21
Release date:2006-05-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of histone H3 lysine-4 methylation by the double tudor domain of JMJD2A
Science, 312, 2006
4UF0
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BU of 4uf0 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 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, FE (II) ION, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2014-12-22
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
4FWF
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BU of 4fwf by Molmil
Complex structure of LSD2/AOF1/KDM1b with H3K4 mimic
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.1, Lysine-specific histone demethylase 1B, ...
Authors:Zhang, Q, Chen, Z.
Deposit date:2012-07-01
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
5WAK
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BU of 5wak by Molmil
Crystal Structure of a Suz12-Rbbp4 Binary Complex
Descriptor: Histone-binding protein RBBP4, Polycomb protein SUZ12, ZINC ION
Authors:Chen, S, Jiao, L, Liu, X.
Deposit date:2017-06-26
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unique Structural Platforms of Suz12 Dictate Distinct Classes of PRC2 for Chromatin Binding.
Mol. Cell, 69, 2018
8FDV
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BU of 8fdv by Molmil
LSD1-CoREST in complex N-formyl FAD and SNAG peptide
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-12-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
2GFA
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BU of 2gfa by Molmil
double tudor domain complex structure
Descriptor: Jumonji domain-containing protein 2A, peptide
Authors:Huang, Y, Fang, J, Bedford, M.T, Zhang, Y, Xu, R.M.
Deposit date:2006-03-21
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recognition of histone H3 lysine-4 methylation by the double tudor domain of JMJD2A
Science, 312, 2006
4GU0
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BU of 4gu0 by Molmil
Crystal structure of LSD2 with H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Yang, H, Dong, Z, Fang, J, Zhu, T, Gong, W, Xu, Y.
Deposit date:2012-08-29
Release date:2013-02-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:Structural insight into substrate recognition by histone demethylase LSD2/KDM1b
Cell Res., 23, 2013
4UXN
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BU of 4uxn by Molmil
LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, ...
Authors:Rodriguez, V, Valente, S, Stazi, G, Lucidi, A, Mercurio, C, Vianello, P, Ciossani, G, Mattevi, A, Botrugno, O.A, Dessanti, P, Minucci, S, Varasi, M, Mai, A.
Deposit date:2014-08-27
Release date:2015-02-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells
Chemmedchem, 6, 2015
8GTX
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BU of 8gtx by Molmil
Crystal Structure of human Spindlin1-HBx complex
Descriptor: GLYCEROL, HBx, Spindlin-1
Authors:Li, H, Liu, W.
Deposit date:2022-09-09
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of human Spindlin1-HBx complex
To be published
8HPO
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BU of 8hpo by Molmil
Cryo-EM structure of a SIN3/HDAC complex from budding yeast
Descriptor: Histone deacetylase RPD3, PHOSPHOTHREONINE, POTASSIUM ION, ...
Authors:Guo, Z, Zhan, X, Wang, C.
Deposit date:2022-12-12
Release date:2023-05-03
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure of a SIN3-HDAC complex from budding yeast.
Nat.Struct.Mol.Biol., 30, 2023
6QPL
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BU of 6qpl by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor MS31
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-02-14
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
8BOX
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BU of 8box by Molmil
LSD1-CoREST in complex with AW4 and SNAG peptide
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-11-15
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8BOP
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BU of 8bop by Molmil
LSD1-CoREST in complex with AW4, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-11-15
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
6R1U
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BU of 6r1u by Molmil
Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 2
Descriptor: DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, Histone H2A, ...
Authors:Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A.
Deposit date:2019-03-15
Release date:2019-04-24
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex.
Cell Rep, 27, 2019

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