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9GII
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BU of 9gii by Molmil
Jumonji domain-containing protein 2A with crystallization epitope mutation R913A
Descriptor: GLYCEROL, Lysine-specific demethylase 4A, SULFATE ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-08-19
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
9FWG
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BU of 9fwg by Molmil
LSD1/CoREST bound to bomedemstat
Descriptor: Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1
Authors:Speranzini, V, Mattevi, A.
Deposit date:2024-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models.
Prostate, 84, 2024
9C0O
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BU of 9c0o by Molmil
Crystal structure of DmCfp1 PHD finger bound to H3K4me3
Descriptor: CXXC-type zinc finger protein 1, DIMETHYL SULFOXIDE, Histone H3.3C, ...
Authors:Gregoire, S, Couture, J.F.
Deposit date:2024-05-27
Release date:2024-07-03
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into an atypical histone binding mechanism by a PHD finger.
Structure, 32, 2024
8FQJ
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BU of 8fqj by Molmil
LSD1-CoREST in complex with T14, short soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate
Authors:Caroli, J, Mattevi, A.
Deposit date:2023-01-06
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To be published
8FJ6
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BU of 8fj6 by Molmil
LSD1-CoREST in complex with T108, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-12-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8FJ4
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BU of 8fj4 by Molmil
LSD1-CoREST in complex with T108, short soaking
Descriptor: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-12-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8FJ7
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BU of 8fj7 by Molmil
LSD1-CoREST in complex with T108 and SNAG peptide
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-12-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F2Z
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BU of 8f2z by Molmil
LSD1-CoREST in complex with AW2, short soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-11-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F30
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BU of 8f30 by Molmil
LSD1-CoREST in complex with AW2, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-11-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F59
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BU of 8f59 by Molmil
LSD1-CoREST in complex with AW2 and SNAG peptide
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-11-12
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F6S
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BU of 8f6s by Molmil
LSD1-CoREST in complex with T105
Descriptor: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-11-17
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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
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
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
8COK
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BU of 8cok by Molmil
Structural analysis of ING3 protein and its binding to histone H3
Descriptor: Inhibitor of growth protein 3
Authors:Ferreras-Gutierrez, M, Medrano, F.J, Blanco, F.J.
Deposit date:2023-02-28
Release date:2023-05-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural analysis of ING3 protein and histone H3 binding.
Int.J.Biol.Macromol., 242, 2023
7ZMX
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BU of 7zmx by Molmil
Crystal structure of the Plant Homeodomain (PHD) of human ING3
Descriptor: CALCIUM ION, Inhibitor of growth protein 3, ZINC ION
Authors:Ferreras, M.O, Medrano, F.J, Blanco, F.J.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of ING3 protein and histone H3 binding.
Int.J.Biol.Macromol., 242, 2023
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
8I03
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BU of 8i03 by Molmil
Cryo-EM structure of the SIN3L complex from S. pombe
Descriptor: Chromatin modification-related protein png2, Histone deacetylase clr6, POTASSIUM ION, ...
Authors:Wang, C, Guo, Z, Zhan, X.
Deposit date:2023-01-10
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
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
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
7Y0I
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BU of 7y0i by Molmil
Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide
Descriptor: ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION
Authors:Yu, M, Zeng, L.
Deposit date:2022-06-05
Release date:2022-10-12
Method:SOLUTION NMR
Cite:Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer.
Front Oncol, 12, 2022
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
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

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PDB entries from 2024-09-18

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