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6YIK
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BU of 6yik by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
Descriptor: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
6YIN
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BU of 6yin by Molmil
Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
Descriptor: (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, Bromodomain-containing protein 4
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
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
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
5FXV
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BU of 5fxv by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with N05859b
Descriptor: 1,2-ETHANEDIOL, 4-CARBOXYPIPERIDINE, HISTONE DEMETHYLASE UTY, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Srikannathasan, V, Oerum, S, 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 (1.91 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with N05859B
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
5FXZ
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BU of 5fxz by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with citrate
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, 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 (1.98 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Citrate
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
5FYM
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BU of 5fym by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with D-2-hydroxyglutarate
Descriptor: (2R)-2-hydroxypentanedioic 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:2016-03-08
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with D-2- Hydroxyglutarate
To be Published
5FY7
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BU of 5fy7 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with succinate
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:2016-03-04
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Succinate
To be Published
5HEL
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BU of 5hel by Molmil
Crystal structure of the N-terminus Y153H bromodomain mutant of human BRD2
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2
Authors:Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-06
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the N-terminus Y153H bromodomain mutant of human BRD2
To Be Published
5HEN
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BU of 5hen by Molmil
Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2
Authors:Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-06
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2
To Be Published
5HFQ
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BU of 5hfq by Molmil
Crystal structure of the second bromodomain Q443H mutant of human BRD2
Descriptor: Bromodomain-containing protein 2
Authors:Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Fonseca, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-07
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the second bromodomain Q443H mutant of human BRD2
To Be Published
5HEM
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BU of 5hem by Molmil
Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 2, ...
Authors:Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-06
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
To Be Published
5HFR
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BU of 5hfr by Molmil
Crystal structure of the second bromodomain H395R mutant of human BRD3
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, NITRATE ION
Authors:Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Fonseca, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-07
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the second bromodomain H395R mutant of human BRD3
To Be Published
5IKW
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BU of 5ikw by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide
Authors:Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-03-04
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A
To Be Published
4RVR
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BU of 4rvr by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex WITH GSK2801
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-11-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4HAS
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BU of 4has by Molmil
Crystal structure of PX domain of human sorting nexin SNX27
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Sorting nexin-27
Authors:Froese, D.S, Krojer, T, Strain-Damerell, C, Allerston, C, Kiyani, W, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2012-09-27
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of PX domain of human sorting nexin SNX27
To be Published
2XDP
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BU of 2xdp by Molmil
Crystal structure of the tudor domain of human JMJD2C
Descriptor: LYSINE-SPECIFIC DEMETHYLASE 4C, SULFATE ION
Authors:Yue, W.W, Gileadi, C, Krojer, T, Weisbach, H, Ugochukwu, E, Daniel, M, Phillips, C, Chaikuad, A, von Delft, F, Allerston, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-05-06
Release date:2010-06-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of the Tudor Domain of Human Jmjd2C
To be Published
4II1
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BU of 4ii1 by Molmil
Crystal structure of the zinc finger of ZGPAT
Descriptor: UNKNOWN ATOM OR ION, ZINC ION, Zinc finger CCCH-type with G patch domain-containing protein
Authors:Bian, C, Tempel, W, Dong, A, Chao, X, Fu, M, Wernimont, A.K, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-12-19
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the zinc finger of ZGPAT
to be published
2XSW
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BU of 2xsw by Molmil
Crystal structure of human INPP5E
Descriptor: 72 KDA INOSITOL POLYPHOSPHATE 5-PHOSPHATASE, CHLORIDE ION, GLYCEROL
Authors:Tresaugues, L, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P.
Deposit date:2010-09-30
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Inpp5E
To be Published
2XRI
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BU of 2xri by Molmil
Crystal structure of human ERI1 exoribonuclease 3
Descriptor: ERI1 EXORIBONUCLEASE 3, GLYCEROL, MAGNESIUM ION
Authors:Welin, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
Deposit date:2010-09-15
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Human Eri1 Exoribonuclease 3
To be Published
6D1T
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BU of 6d1t by Molmil
Complex of MBD1-MBD and methylated DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION
Authors:Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-04-12
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Complex of MBD1-MBD and methylated DNA
to be published
2YBX
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BU of 2ybx by Molmil
Crystal Structure of Human Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha
Descriptor: PHOSPHATE ION, PHOSPHATIDYLINOSITOL-5-PHOSPHATE 4-KINASE TYPE-2 ALPHA
Authors:Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Siponen, M.I, Thorsell, A.G, Wahlberg, E, Weigelt, J, Nordlund, P.
Deposit date:2011-03-30
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Crystal Structure of Human Phosphatidylinositol-5-Phosphate 4-Kinase Type-2 Alpha
To be Published
2YF0
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BU of 2yf0 by Molmil
Human Myotubularin related protein 6 (MTMR6)
Descriptor: MYOTUBULARIN-RELATED PROTEIN 6, SULFATE ION
Authors:Moche, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P.
Deposit date:2011-03-31
Release date:2011-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of Human Mtmr6
To be Published

220113

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