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4IR3
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BU of 4ir3 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone (GSK2833282A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-amino-1-(pyrimidin-2-yl)indolizin-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, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR6
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BU of 4ir6 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-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, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
5N2L
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BU of 5n2l by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ...
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
6BYB
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BU of 6byb by Molmil
Crystal structure of L3MBTL1 MBT Domain with MBK14970
Descriptor: (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide, 1,2-ETHANEDIOL, Lethal(3)malignant brain tumor-like protein 1, ...
Authors:DONG, A, DOBROVETSKY, E, NICHOLSON, B, COX, C, FISCHER, C, ARMACOST, K, SANDERS, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2017-12-20
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of L3MBTL1 MBT Domain with MBK14970
to be published
5IGN
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BU of 5ign by Molmil
Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe
Descriptor: Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
Authors:Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
5LF9
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BU of 5lf9 by Molmil
Crystal structure of human NUDT22
Descriptor: Nucleoside diphosphate-linked moiety X motif 22
Authors:Tallant, C, Siejka, P, Mathea, S, Shrestha, L, Krojer, T, Srikannathasan, V, Elkins, J.M, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of human NUDT22
To Be Published
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
4XWX
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BU of 4xwx by Molmil
Crystal structure of the PTB domain of SHC
Descriptor: 1,2-ETHANEDIOL, SHC-transforming protein 1, SODIUM ION
Authors:Chaikuad, A, Tallant, C, Krojer, T, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-01-29
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of the PTB domain of SHC
To Be Published
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
6YDV
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BU of 6ydv by Molmil
Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library
Descriptor: CHLORIDE ION, JMJD1B protein, MANGANESE (II) ION, ...
Authors:Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2020-03-21
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library
To Be Published
4YVD
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BU of 4yvd by Molmil
Crytsal structure of human Pleiotropic Regulator 1 (PRL1)
Descriptor: CHLORIDE ION, Pleiotropic regulator 1, SODIUM ION, ...
Authors:Dong, A, Zeng, H, Xu, C, Tempel, W, Li, Y, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2015-03-19
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crytsal structure of human Pleiotropic Regulator 1 (PRL1).
to be published
6Y5R
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BU of 6y5r by Molmil
Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, B, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC)
Deposit date:2020-02-25
Release date:2020-03-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structure of Human Potassium Chloride Transporter KCC3 in NaCl
To be published
5MR8
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BU of 5mr8 by Molmil
Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
Descriptor: E3 ubiquitin-protein ligase TRIM33, Histone H3, ZINC ION
Authors:Tallant, C, Savitsky, P, Fedorov, O, Nunez-Alonso, G, Siejka, P, Krojer, T, Williams, E, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
To Be Published
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
4DYM
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BU of 4dym by Molmil
Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
Descriptor: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ...
Authors:Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2012-02-29
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
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
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
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
4JXM
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BU of 4jxm by Molmil
Crystal structure of RRP9 WD40 repeats
Descriptor: U3 small nucleolar RNA-interacting protein 2, UNKNOWN ATOM OR ION
Authors:Wu, X, Tempel, W, Xu, C, El Bakkouri, M, He, H, Seitova, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-03-28
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of RRP9 WD40 repeats
To be Published
4UEG
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BU of 4ueg by Molmil
Crystal structure of human glycogenin-2 catalytic domain
Descriptor: GLYCOGENIN-2, MAGNESIUM ION
Authors:Fairhead, M, Strain-Damerell, C, Krojer, T, Froese, D.S, Kopec, J, Nowak, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-12-17
Release date:2014-12-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of Human Glycogenin-2 Catalytic Domain
To be Published
6C2F
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BU of 6c2f by Molmil
MBD2 in complex with methylated DNA
Descriptor: 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2018-01-08
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:MBD2 in complex with methylated DNA
to be published
4LC2
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BU of 4lc2 by Molmil
Crystal structure of the bromodomain of human BRPF1B
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, Peregrin
Authors:Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-06-21
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the bromodomain of human BRPF1B
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
4LG9
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BU of 4lg9 by Molmil
Crystal structure of TBL1XR1 WD40 repeats
Descriptor: F-box-like/WD repeat-containing protein TBL1XR1, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, He, H, Wu, X, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of TBL1XR1 WD40 repeats
TO BE PUBLISHED
4LG7
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BU of 4lg7 by Molmil
Crystal structure MBD4 MBD domain in complex with methylated CpG DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 4, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure MBD4 MBD domain in complex with methylated CpG DNA
To be Published

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