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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
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
5FPV
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BU of 5fpv by Molmil
Crystal structure of human JMJD2A in complex with compound KDOAM20A
Descriptor: 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ...
Authors:Srikannathasan, V, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2015-12-03
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FPL
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BU of 5fpl by Molmil
Crystal structure of human JARID1B in complex with CCT363901
Descriptor: 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
Authors:Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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
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
6TUY
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BU of 6tuy by Molmil
Human LSD1/CoREST bound to the quinazoline inhibitor MC4106
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mattevi, A, Marrocco, B.
Deposit date:2020-01-08
Release date:2021-07-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models.
Eur.J.Med.Chem., 237, 2022
6VHF
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BU of 6vhf by Molmil
Crystal structure of RbBP5 interacting domain of Cfp1
Descriptor: PHD-type domain-containing protein, ZINC ION
Authors:Joshi, M, Couture, J.F.
Deposit date:2020-01-09
Release date:2020-01-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:A non-canonical monovalent zinc finger stabilizes the integration of Cfp1 into the H3K4 methyltransferase complex COMPASS.
Nucleic Acids Res., 48, 2020
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
8ESC
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BU of 8esc by Molmil
Structure of the Yeast NuA4 Histone Acetyltransferase Complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Patel, A.B, Zukin, S.A, Nogales, E.
Deposit date:2022-10-13
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and flexibility of the yeast NuA4 histone acetyltransferase complex.
Elife, 11, 2022
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
6I8L
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BU of 6i8l by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-20
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6I8Y
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BU of 6i8y by Molmil
Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-21
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-11-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
8F8Y
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BU of 8f8y by Molmil
PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8F8Z
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BU of 8f8z by Molmil
PHF2 (PHD+JMJ) in Complex with H3 Histone N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, H3 N-Terminal Peptide, Lysine-specific demethylase PHF2, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
6I8B
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BU of 6i8b by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
Descriptor: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-19
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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
6R25
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BU of 6r25 by Molmil
Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 3
Descriptor: DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, H2B, ...
Authors:Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A.
Deposit date:2019-03-15
Release date:2019-04-24
Method:ELECTRON MICROSCOPY (4.61 Å)
Cite:A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex.
Cell Rep, 27, 2019
7XE1
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BU of 7xe1 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-PCPA
Descriptor: 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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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BU of 7xe3 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
Descriptor: 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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
Descriptor: 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
8FYH
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BU of 8fyh by Molmil
G4 RNA-mediated PRC2 dimer
Descriptor: G4 RNA, Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, ...
Authors:Song, J, Kasinath, V.
Deposit date:2023-01-26
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for inactivation of PRC2 by G-quadruplex RNA.
Science, 381, 2023
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
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

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