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6VCS
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BU of 6vcs by Molmil
SRA domain of UHRF1 in complex with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*TP*GP*TP*AP*CP*AP*GP*GP*C)-3'), E3 ubiquitin-protein ligase UHRF1, UNK-UNK-UNK-UNK, ...
Authors:Dong, C, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2019-12-22
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SRA domain of UHRF1 in complex with DNA
To Be Published
8OU2
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BU of 8ou2 by Molmil
Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
Authors:Balikci, E, Ni, X, Bountra, C, von Delft, F, Huber, K.
Deposit date:2023-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
To Be Published
8BLU
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BU of 8blu by Molmil
The PDZ domains of human SDCBP
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALANINE, ...
Authors:Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2022-11-10
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The PDZ domains of human SDCBP
To Be Published
8BNT
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BU of 8bnt by Molmil
The DH domain of ARHGEF2 bound to RhoA
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ...
Authors:Bradshaw, W.J, Katis, V.L, Grosjean, H, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2022-11-25
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The DH domain of ARHGEF2 bound to RhoA
To Be Published
8BLV
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BU of 8blv by Molmil
The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Syndecan-4, ...
Authors:Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2022-11-10
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide
To Be Published
8BI5
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BU of 8bi5 by Molmil
Crystal structure of human Choline Kinase A in complex with UNC0737
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
Authors:Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2022-11-01
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human Choline Kinase A in complex with UNC0737
To Be Published
8BI6
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BU of 8bi6 by Molmil
Crystal structure of human Choline Kinase A in complex with UNC0638
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
Authors:Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2022-11-01
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Choline Kinase A in complex with UNC0638
To Be Published
8CDN
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BU of 8cdn by Molmil
Crystal structure of human Brachyury in complex with a single T box binding element DNA
Descriptor: DNA (5'-D(*AP*GP*GP*CP*TP*CP*AP*CP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*GP*TP*GP*AP*GP*CP*CP*T)-3'), T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, von Delft, F, Gileadi, O, Bountra, C.
Deposit date:2023-01-31
Release date:2023-03-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of human Brachyury in complex with a single T box binding element DNA
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
5L76
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BU of 5l76 by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form)
Descriptor: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ...
Authors:Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W.
Deposit date:2016-06-02
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form)
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
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
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
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
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
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
2YAN
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BU of 2yan by Molmil
Crystal structure of the second glutaredoxin domain of human TXNL2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
Authors:Vollmar, M, Johansson, C, Cocking, R, Muniz, J.R.C, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
Deposit date:2011-02-23
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Second Glutaredoxin Domain of Human Txnl2
To be Published
6UPT
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BU of 6upt by Molmil
Tudor Domain of Tumor suppressor p53BP1 with MFP-2706
Descriptor: 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole, TP53-binding protein 1, UNKNOWN ATOM OR ION
Authors:The, J, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-10-18
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Tudor Domain of Tumor suppressor p53BP1 with MFP-2706
to be published
2YPD
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BU of 2ypd by Molmil
Crystal structure of the Jumonji domain of human Jumonji domain containing 1C protein
Descriptor: 2-(ETHYLMERCURI-THIO)-BENZOIC ACID, PROBABLE JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROT EIN 2C, SODIUM ION
Authors:Vollmar, M, Johansson, C, Krojer, T, Berridge, G, Burgess-Brown, N, Strain-Damerell, C, Froese, S, Williams, E, Goubin, S, Coutandin, D, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2012-10-30
Release date:2012-12-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Jumonji Domain of Human Jumonji Domain Containing 1C Protein
To be Published
6VAH
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BU of 6vah by Molmil
Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
Descriptor: 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Dong, A, Li, Y, Melin, L, Gagnon, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V, Structural Genomics Consortium (SGC)
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
to be published
6VA5
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BU of 6va5 by Molmil
Tudor Domain of Tumor suppressor p53BP1 with MFP-4184
Descriptor: 2-(4-methylpiperazin-1-yl)aniline, GLYCEROL, SULFATE ION, ...
Authors:Zeng, H, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-12-16
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Tudor Domain of Tumor suppressor p53BP1 with MFP-4184
to be published
6VO5
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BU of 6vo5 by Molmil
Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
Descriptor: ACETATE ION, GLYCEROL, Histone H4, ...
Authors:Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-01-30
Release date:2020-03-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
to be published
6VIP
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BU of 6vip by Molmil
TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
Descriptor: TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
Authors:The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2020-01-13
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
to be published
6WAD
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BU of 6wad by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
Descriptor: 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2020-03-25
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
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

222624

数据于2024-07-17公开中

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