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5FXW
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BU of 5fxw by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with fumarate
Descriptor: 1,2-ETHANEDIOL, FUMARIC ACID, HISTONE DEMETHYLASE UTY, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2016-03-03
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Fumarate
To be Published
5FY0
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BU of 5fy0 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with L-malate
Descriptor: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, HISTONE DEMETHYLASE UTY, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2016-03-03
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with L-Malate
To be Published
5FXX
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BU of 5fxx by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with oxaloacetate
Descriptor: 1,2-ETHANEDIOL, HISTONE DEMETHYLASE UTY, MANGANESE (II) ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2016-03-03
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Oxaloacetate
To be Published
5FY1
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BU of 5fy1 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with N08619b
Descriptor: 1,2-ETHANEDIOL, 2-hydroxybenzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Pearce, N.M, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2016-03-03
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with N08619B
To be Published
8V42
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BU of 8v42 by Molmil
Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400
Descriptor: (7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Counago, R.M, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Arruda, P.
Deposit date:2023-11-28
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1 delta / epsilon.
J.Med.Chem., 67, 2024
2A72
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BU of 2a72 by Molmil
Structure of the regulator of G-protein signaling domain of RGS7
Descriptor: CHLORIDE ION, Regulator of G-protein signalling 7
Authors:Schoch, G.A, Johansson, C, Phillips, C, Debreczeni, J, Smee, C, Elkins, J.M, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Gileadi, O, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-07-04
Release date:2005-07-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1ZV4
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BU of 1zv4 by Molmil
Structure of the Regulator of G-Protein Signaling 17 (RGSZ2)
Descriptor: Regulator of G-protein signaling 17
Authors:Schoch, G.A, Jansson, A, Elkins, J.M, Haroniti, A, Niesen, F.H, Bunkoczi, G, Lee, W.H, Turnbull, A.P, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Marsden, B, Gileadi, O, Ball, L, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-06-01
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BIC
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BU of 3bic by Molmil
Crystal structure of human methylmalonyl-CoA mutase
Descriptor: CHLORIDE ION, Methylmalonyl-CoA mutase, mitochondrial precursor
Authors:Ugochukwu, E, Kochan, G, Pantic, N, Parizotto, E, Pilka, E.S, Pike, A.C.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-11-30
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the human GTPase MMAA and vitamin B12-dependent methylmalonyl-CoA mutase and insight into their complex formation.
J.Biol.Chem., 285, 2010
2BYG
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BU of 2byg by Molmil
2nd PDZ Domain of Discs Large Homologue 2
Descriptor: CHANNEL ASSOCIATED PROTEIN OF SYNAPSE-110
Authors:Elkins, J.M, Schoch, G.A, Smee, C.E.A, Berridge, G, Salah, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-08-01
Release date:2005-08-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
2I1N
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BU of 2i1n by Molmil
Crystal structure of the 1st PDZ domain of Human DLG3
Descriptor: Discs, large homolog 3, SODIUM ION
Authors:Turnbull, A.P, Phillips, C, Bunkoczi, G, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Gorrec, F, Umeano, C, Elkins, J, Berridge, G, Savitsky, P, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-08-14
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2GZV
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BU of 2gzv by Molmil
The cystal structure of the PDZ domain of human PICK1
Descriptor: PRKCA-binding protein
Authors:Debreczeni, J.E, Elkins, J.M, Yang, X, Berridge, G, Bray, J, Colebrook, S, Smee, C, Savitsky, P, Gileadi, O, Turnbull, A, von Delft, F, Doyle, D.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC)
Deposit date:2006-05-12
Release date:2006-07-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2UZC
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BU of 2uzc by Molmil
Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5
Authors:Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D.
Deposit date:2007-04-27
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms.
Protein Sci., 19, 2010
8PJI
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BU of 8pji by Molmil
MLLT1 in complex with compound 10a
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ...
Authors:Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
Deposit date:2023-06-23
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
8PJ7
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BU of 8pj7 by Molmil
MLLT3 in complex with compound PFI-6
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
Deposit date:2023-06-22
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
Descriptor: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
Authors:Dias, J.M, Byrnes, L.J, Varghese, A.H.
Deposit date:2022-07-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
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
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
2AF0
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BU of 2af0 by Molmil
Structure of the Regulator of G-Protein Signaling Domain of RGS2
Descriptor: Regulator of G-protein signaling 2
Authors:Papagrigoriou, E, Johannson, C, Phillips, C, Smee, C, Elkins, J.M, Weigelt, J, Arrowsmith, C, Edwards, A, Sundstrom, M, Von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-07-25
Release date:2005-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2IC5
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BU of 2ic5 by Molmil
Crystal structure of human RAC3 grown in the presence of Gpp(NH)p.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ugochukwu, E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-09-12
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human RAC3 grown in the presence of Gpp(NH)p.
To be Published
6HT0
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BU of 6ht0 by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94
Descriptor: 1,2-ETHANEDIOL, 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
Authors:Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
6HT1
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BU of 6ht1 by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92)
Descriptor: 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
Authors:Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
4AI8
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BU of 4ai8 by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE
Descriptor: DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
Authors:King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
4AI9
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BU of 4ai9 by Molmil
JMJD2A Complexed with Daminozide
Descriptor: CHLORIDE ION, DAMINOZIDE, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
2ES0
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BU of 2es0 by Molmil
Structure of the regulator of G-protein signaling domain of RGS6
Descriptor: regulator of G-protein signalling 6
Authors:Schoch, G.A, Phillips, C, Turnbull, A, Niesen, F, Johansson, C, Elkins, J.M, Longman, E, Gilealdi, C, Sobott, F, Ball, L, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-10-25
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3QK3
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BU of 3qk3 by Molmil
Crystal structure of human beta-crystallin B3
Descriptor: 1,2-ETHANEDIOL, Beta-crystallin B3, SULFATE ION
Authors:Krojer, T, Gileadi, C, Cocking, R, Muniz, J, Pilka, E, Yue, W.W, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-01-31
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:

227344

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