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4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
Descriptor: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4CUS
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BU of 4cus by Molmil
Crystal structure of human BAZ2B in complex with fragment-4 N09496
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, quinolin-4-ol
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-4 N09496
To be Published
4D6S
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BU of 4d6s by Molmil
crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound 5,6-Dimethylbenzimidazole
Descriptor: 1,2-ETHANEDIOL, 5,6-DIMETHYLBENZIMIDAZOLE, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound 5,6- Dimethylbenzimidazole
To be Published
4CUT
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BU of 4cut by Molmil
Crystal structure of human BAZ2B in complex with fragment-5 N09428
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.835 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-5 N09428
To be Published
4DRZ
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BU of 4drz by Molmil
Crystal structure of human RAB14
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-14
Authors:Wang, J, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-02-17
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human RAB14
to be published
4E47
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BU of 4e47 by Molmil
SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine
Descriptor: (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD7, ...
Authors:Walker, J.R, Ouyang, H, Dong, A, Fish, P, Cook, A, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-03-12
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Setd7 in Complex with Inhibitor and SAM
To be Published
4NR5
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BU of 4nr5 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Pike, A.W, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published
4CUP
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BU of 4cup by Molmil
Crystal structure of human BAZ2B in complex with fragment-1 N09421
Descriptor: 4-Fluorobenzamidoxime, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, METHANOL
Authors:Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
Deposit date:2014-03-21
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of Human Baz2B in Complex with Fragment-1 N09421
To be Published
4CVO
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BU of 4cvo by Molmil
Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6
Descriptor: DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION
Authors:Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2014-03-28
Release date:2014-04-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6
To be Published
4D6Q
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BU of 4d6q by Molmil
crystal structure of human JMJD2D in complex with 2,4-PDCA
Descriptor: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, NICKEL (II) ION, ...
Authors:Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.292 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with 2,4-Pdca
To be Published
4EFD
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BU of 4efd by Molmil
Crystal Structure of an M17 aminopeptidase from Trypanosoma Brucei, Tb427tmp.02.4440
Descriptor: Aminopeptidase, GLYCEROL, MANGANESE (II) ION, ...
Authors:Wernimont, A.K, Osman, K.T, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2012-03-29
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of an M17 aminopeptidase from Trypanosoma Brucei, Tb427tmp.02.4440
To be Published
4ER3
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BU of 4er3 by Molmil
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
Descriptor: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4LD6
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BU of 4ld6 by Molmil
PWWP domain of human PWWP Domain-Containing Protein 2B
Descriptor: GLYCEROL, PWWP domain-containing protein 2B, UNKNOWN ATOM OR ION
Authors:Dong, A, Dombrovski, L, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2013-06-24
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of PWWP domain of human PWWP Domain-Containing Protein 2B
To be Published
4LG1
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BU of 4lg1 by Molmil
Human Methyltransferase-Like Protein 21D
Descriptor: 1,2-ETHANEDIOL, Protein-lysine methyltransferase METTL21D, S-ADENOSYLMETHIONINE, ...
Authors:Dong, A, Zeng, H, Fenner, M, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of Human Methyltransferase-Like Protein 21D in Complex with SAM
To be Published
4LDG
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BU of 4ldg by Molmil
Crystal Structure of CpSET8 from Cryptosporidium, cgd4_370
Descriptor: MALONATE ION, Protein with a SET domain within carboxy region
Authors:Wernimont, A.K, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2013-06-24
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structure of CpSET8 from Cryptosporidium, cgd4_370
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
4LDF
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BU of 4ldf by Molmil
Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190
Descriptor: GCN5 like acetylase + bromodomain, GLYCEROL, UNKNOWN ATOM OR ION
Authors:Wernimont, A.K, Loppnau, P, Fonseca, M, Knapp, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC)
Deposit date:2013-06-24
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of CpBRD2 from cryptosporidium, cgd3_3190
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
4NR4
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BU of 4nr4 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
TO BE PUBLISHED
4EDU
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BU of 4edu by Molmil
The MBT repeats of human SCML2 in a complex with histone H2A peptide
Descriptor: Histone H2A.J peptide, Sex comb on midleg-like protein 2
Authors:Nady, N, Amaya, M.F, Tempel, W, Ravichandran, M, Arrowsmith, C.H.
Deposit date:2012-03-27
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Histone recognition by human malignant brain tumor domains.
J.Mol.Biol., 423, 2012
4NQM
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BU of 4nqm by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a triazolo-phthalazine ligand
Descriptor: 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 4, SUCCINIC ACID
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-25
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with a triazolo-phthalazine ligand
To be Published
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
4DYL
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BU of 4dyl by Molmil
F-BAR domain of human FES tyrosine kinase
Descriptor: Tyrosine-protein kinase Fes/Fps
Authors:Ugochukwu, E, Salah, E, Elkins, J, Barr, A, Krojer, T, Filippakopoulos, P, Weigelt, J, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-02-29
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:F-BAR domain of human FES tyrosine kinase
TO BE PUBLISHED
4NXJ
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BU of 4nxj by Molmil
Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
Descriptor: Bromodomain protein
Authors:Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC)
Deposit date:2013-12-09
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED
4NYW
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BU of 4nyw by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
Descriptor: (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED

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数据于2024-10-16公开中

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