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5T5G
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BU of 5t5g by Molmil
human SETD8 in complex with MS2177
Descriptor: 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION
Authors:Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-08-30
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
5TH7
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BU of 5th7 by Molmil
Complex of SETD8 with MS453
Descriptor: 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ...
Authors:Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
8B52
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BU of 8b52 by Molmil
Usutu virus methyltransferase domain in complex with sinefungin
Descriptor: GLYCEROL, Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Ferrero, D.S, Albentosa Gonzalez, L, Mas, A, Verdaguer, N.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure and function of the NS5 methyltransferase domain from Usutu virus.
Antiviral Res., 208, 2022
8B51
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BU of 8b51 by Molmil
Usutu virus methyltransferase domain in complex with sinefungin
Descriptor: GLYCEROL, GLYCINE, RNA-directed RNA polymerase NS5, ...
Authors:Ferrero, D.S, Albentosa Gonzalez, L, Mas, A, Verdaguer, N.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure and function of the NS5 methyltransferase domain from Usutu virus.
Antiviral Res., 208, 2022
4HSG
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BU of 4hsg by Molmil
Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD)
Descriptor: 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION
Authors:Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2012-10-30
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013
6OYB
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BU of 6oyb by Molmil
Crystal structure of H62G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYE
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BU of 6oye by Molmil
Crystal structure of Y99F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYG
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BU of 6oyg by Molmil
Crystal structure of H62F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OY8
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BU of 6oy8 by Molmil
Crystal structure of Y99G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6BOZ
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BU of 6boz by Molmil
Structure of human SETD8 in complex with covalent inhibitor MS4138
Descriptor: 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A
Authors:Babault, N, Anqi, M, Jin, J.
Deposit date:2017-11-21
Release date:2019-05-01
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
5UMK
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BU of 5umk by Molmil
Crystal structure of H62Y mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-01-27
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
5UMJ
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BU of 5umj by Molmil
Crystal structure of H62A mutant of human macrophage migration inhibitory factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-01-27
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
5V2N
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BU of 5v2n by Molmil
Crystal Structure of APO Human SETD8
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
Authors:Skene, R.J.
Deposit date:2017-03-05
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
3VUY
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BU of 3vuy by Molmil
Crystal structure of A20 ZF7 in complex with linear tetraubiquitin
Descriptor: POTASSIUM ION, Polyubiquitin-C, Tumor necrosis factor alpha-induced protein 3, ...
Authors:Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2012-07-09
Release date:2013-02-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation
Embo J., 31, 2012
3VUW
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BU of 3vuw by Molmil
Crystal structure of A20 ZF7 in complex with linear ubiquitin, form I
Descriptor: POTASSIUM ION, Polyubiquitin-C, Tumor necrosis factor alpha-induced protein 3, ...
Authors:Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2012-07-09
Release date:2013-02-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation
Embo J., 31, 2012
3VUX
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BU of 3vux by Molmil
Crystal structure of A20 ZF7 in complex with linear ubiquitin, form II
Descriptor: 1,2-ETHANEDIOL, POTASSIUM ION, Polyubiquitin-C, ...
Authors:Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2012-07-09
Release date:2013-02-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation
Embo J., 31, 2012

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