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PDB: 4673 件
5F5C
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BU of 5f5c by Molmil
Crystal Structure of human JMJD2D complexed with KDOPP7
分子名称: 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
3CY2
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BU of 3cy2 by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II
分子名称: (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
2C95
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BU of 2c95 by Molmil
Structure of adenylate kinase 1 in complex with P1,P4-di(adenosine) tetraphosphate
分子名称: ADENYLATE KINASE 1, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, MALONATE ION
著者Bunkoczi, G, Filippakopoulos, P, Jansson, A, Longman, E, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S.
登録日2005-12-09
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure of Adenylate Kinase 1 in Complex with P1, P4-Di(Adenosine)Tetraphosphate
To be Published
2CHL
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BU of 2chl by Molmil
Structure of casein kinase 1 gamma 3
分子名称: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CASEIN KINASE I ISOFORM GAMMA-3, SULFATE ION
著者Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Ugochukwu, E, Weigelt, J, von Delft, F, Knapp, S.
登録日2006-03-15
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Casein Kinase 1 Gamma 3
To be Published
3ITK
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BU of 3itk by Molmil
Crystal structure of human UDP-glucose dehydrogenase Thr131Ala, apo form.
分子名称: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, UDP-glucose 6-dehydrogenase
著者Chaikuad, A, Egger, S, Yue, W.W, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-08-28
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
2VPJ
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BU of 2vpj by Molmil
Crystal structure of the Kelch domain of human KLHL12
分子名称: ACETATE ION, KELCH-LIKE PROTEIN 12
著者Keates, T, Pike, A.C.W, Bullock, A.N, Salah, E, Filippakopoulos, P, Roos, A.K, von Delft, F, Savitsky, P, Weigelt, J, Edwards, A, Arrowsmith, C.H, Bountra, C, Knapp, S.
登録日2008-02-29
公開日2008-03-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
3K2O
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BU of 3k2o by Molmil
Structure of an oxygenase
分子名称: ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ...
著者Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-09-30
公開日2009-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
2OV2
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BU of 2ov2 by Molmil
The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Ugochukwu, E, Yang, X, Elkins, J.M, Burgess-Brown, N, Bunkoczi, G, Debreczeni, J.E.D, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2007-02-12
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
To be Published
2P8U
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BU of 2p8u by Molmil
Crystal structure of human 3-hydroxy-3-methylglutaryl CoA synthase I
分子名称: COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ...
著者Turnbull, A, Shafqat, N, Salah, E, Niesen, F.H, Burgess, N, Bunkoczi, G, Debreczeni, J, Pike, A.C.W, Umeano, C, Gorrec, F, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-03-23
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of human HMG-CoA synthase isoforms provide insights into inherited ketogenesis disorders and inhibitor design.
J.Mol.Biol., 398, 2010
2QQ5
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BU of 2qq5 by Molmil
Crystal structure of human SDR family member 1
分子名称: Dehydrogenase/reductase SDR family member 1
著者Pilka, E.S, Hozjan, V, Ugochukwu, E, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-07-26
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human SDR family member 1.
TO BE PUBLISHED
5L4Q
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BU of 5l4q by Molmil
Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor)
分子名称: 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
著者Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S.
登録日2016-05-26
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.
J.Med.Chem., 2019
3CD3
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BU of 3cd3 by Molmil
Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
分子名称: CHLORIDE ION, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ...
著者Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-02-26
公開日2008-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
3CBL
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BU of 3cbl by Molmil
Crystal structure of human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
分子名称: Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, Synthetic peptide
著者Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-02-22
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
5LXD
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BU of 5lxd by Molmil
Crystal structure of DYRK2 in complex with EHT 1610 (compound 2)
分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
著者Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-09-20
公開日2016-10-26
最終更新日2017-01-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
7AJN
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BU of 7ajn by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
著者Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
登録日2020-09-29
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
To Be Published
2REY
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BU of 2rey by Molmil
Crystal structure of the PDZ domain of human dishevelled 2 (homologous to Drosophila dsh)
分子名称: Segment polarity protein dishevelled homolog DVL-2
著者Papagrigoriou, E, Gileadi, C, Elkins, J, Cooper, C, Ugochukwu, E, Turnbull, A, Pike, A.C.W, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2007-09-27
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the PDZ domains of human dishevelled 2 (homologous to Drosophila dsh).
To be Published
5LXC
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BU of 5lxc by Molmil
Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1)
分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
著者Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-09-20
公開日2016-10-26
最終更新日2017-01-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
5FYS
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BU of 5fys by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with D-2-hydroxyglutarate
分子名称: (2R)-2-hydroxypentanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-03-09
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with D-2-Hydroxyglutarate
To be Published
5FZI
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BU of 5fzi by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3095
分子名称: 1,2-ETHANEDIOL, 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid, CHLORIDE ION, ...
著者Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
登録日2016-03-14
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3095
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
分子名称: (2R)-2-hydroxypentanedioic acid, 1,2-ETHANEDIOL, HISTONE DEMETHYLASE UTY, ...
著者Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2016-03-08
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with D-2- Hydroxyglutarate
To be Published
5FZ7
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BU of 5fz7 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment ethyl 2-amino-4-thiophen-2-ylthiophene-3- carboxylate (N06131b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-11
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Ethyl 2-Amino-4-Thiophen-2-Ylthiophene-3-Carboxylate (N06131B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
7AV8
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BU of 7av8 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
分子名称: PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
登録日2020-11-04
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
2GS3
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BU of 2gs3 by Molmil
Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 4(GPX4)
分子名称: CHLORIDE ION, Phospholipid hydroperoxide glutathione peroxidase
著者Johansson, C, Kavanagh, K.L, Rojkova, A, Gileadi, O, von Delft, F, Arrowsmith, C, Weigelt, J, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-04-25
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 4(GPX4)
To be Published
5FYZ
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BU of 5fyz by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile (N10063a)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
著者Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-10
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10063A
To be Published
5FYU
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BU of 5fyu by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-Amino-4-methyl-1,3-dihydro-2H-indol-2-one (N10042a)
分子名称: (3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Pearce, N, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-09
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10042A
To be Published

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