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PDB: 1160 件
4AP8
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BU of 4ap8 by Molmil
Crystal structure of human Molybdopterin synthase catalytic subunit (MOCS2B)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MOLYBDOPTERIN SYNTHASE CATALYTIC SUBUNIT
著者Vollmar, M, Kiyani, W, Krojer, T, Goubin, S, Allerston, C, Froese, D.S, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W.
登録日2012-03-30
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Crystal Structure of Human Molybdopterin Synthase Catalytic Subunit (Mocs2B)
To be Published
5FWJ
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BU of 5fwj by Molmil
Crystal structure of human JARID1C in complex with KDM5-C49
分子名称: 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, HISTONE DEMETHYLASE JARID1C, MAGNESIUM ION, ...
著者Srikannathasan, V, Szykowska, A, Strain-Damerell, C, Kopec, J, Nowak, R, Gileadi, C, Johansson, C, Kupinska, K, Burgess-Brown, N.A, Shrestha, L, Dong, W, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K, Oppermann, U.
登録日2016-02-17
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
4B4C
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BU of 4b4c by Molmil
Crystal structure of the DNA-binding domain of human CHD1.
分子名称: 1,2-ETHANEDIOL, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, GLYCEROL, ...
著者Allerston, C.K, Cooper, C.D.O, Shrestha, L, Vollmar, M, Burgess-Brown, N, Yue, W.W, Carpenter, E.P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
登録日2012-07-30
公開日2012-08-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure of the DNA-Binding Domain of Human Chd1.
To be Published
4AYW
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BU of 4ayw by Molmil
STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM)
分子名称: ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
著者Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P.
登録日2012-06-22
公開日2012-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
3DLZ
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BU of 3dlz by Molmil
Crystal structure of human haspin in complex with AMP
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Murray, J.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-06-30
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and functional characterization of the atypical human kinase haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
6ZGC
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BU of 6zgc by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530)
分子名称: Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ...
著者Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2020-06-18
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva.
JCI Insight, 6, 2021
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
5A6R
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BU of 5a6r by Molmil
Crystal structure of the BTB domain of human KCTD17
分子名称: BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17
著者Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-06-30
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
3ZWF
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BU of 3zwf by Molmil
Crystal structure of Human tRNase Z, short form (ELAC1).
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ...
著者Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
登録日2011-07-29
公開日2011-08-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Trnase Z, Short Form (Elac1).
To be Published
4D6Q
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BU of 4d6q by Molmil
crystal structure of human JMJD2D in complex with 2,4-PDCA
分子名称: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, NICKEL (II) ION, ...
著者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.
登録日2014-11-14
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.292 Å)
主引用文献Crystal Structure of Human Jmjd2D in Complex with 2,4-Pdca
To be Published
4C45
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BU of 4c45 by Molmil
Crystal structure of human pterin-4-alpha-carbinolamine dehydratase 2 (PCBD2)
分子名称: 1,2-ETHANEDIOL, PTERIN-4-ALPHA-CARBINOLAMINE DEHYDRATASE 2
著者Kopec, J, Kiyani, W, Vollmar, M, Shrestha, L, Canning, P, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W.
登録日2013-08-30
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of Human Pterin-4-Alpha- Carbinolamine Dehydratase 2 (Pcbd2)
To be Published
4CCZ
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BU of 4ccz by Molmil
Crystal structure of human 5-methyltetrahydrofolate-homocysteine methyltransferase, the homocysteine and folate binding domains
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, METHIONINE SYNTHASE
著者Vollmar, M, Kiyani, W, Krojer, T, Goubin, S, Burgess-Brown, N, von Delft, F, Oppermann, U, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W.
登録日2013-10-29
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of Human 5-Methyltetrahydrofolate-Homocysteine Methyltransferase, the Homocysteine and Folate Binding Domains
To be Published
4BQM
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BU of 4bqm by Molmil
Crystal structure of human liver-type glutaminase, catalytic domain
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLUTAMINASE LIVER ISOFORM, ...
著者Ferreira, I.M, Vollmar, M, Krojer, T, Strain-Damerell, C, Froese, S, Coutandin, D, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Dias, S.M.G, Ambrosio, A.L.B, Yue, W.W.
登録日2013-05-31
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of Human Liver-Type Glutaminase, Catalytic Domain
To be Published
6XY7
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BU of 6xy7 by Molmil
Human SHIP1 with magnesium and phosphate bound to the active site
分子名称: DIMETHYL SULFOXIDE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Bradshaw, W.J, Scacioc, A, Fernandez-Cid, A, Mckinley, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-01-29
公開日2020-02-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.086 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
6HXF
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BU of 6hxf by Molmil
Human STK10 bound to a maleimide inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione, CHLORIDE ION, ...
著者Sorrell, F.J, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M.
登録日2018-10-17
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Human STK10 bound to a maleimide inhibitor
To Be Published
5AGA
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BU of 5aga by Molmil
Crystal structure of the Helicase domain of human DNA polymerase theta in complex with AMPPNP
分子名称: CITRATE ANION, DNA POLYMERASE THETA, MAGNESIUM ION, ...
著者Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2015-01-29
公開日2015-02-25
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
5A9J
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BU of 5a9j by Molmil
Crystal structure of the Helicase domain of human DNA polymerase theta, apo-form
分子名称: DNA POLYMERASE THETA
著者Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2015-07-21
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
5A9F
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BU of 5a9f by Molmil
Crystal structure of the Helicase domain of human DNA polymerase theta in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA POLYMERASE THETA, MAGNESIUM ION, ...
著者Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2015-07-21
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
6I1S
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BU of 6i1s by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
分子名称: (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ...
著者Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-10-30
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
6I8Y
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BU of 6i8y by Molmil
Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ...
著者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.
登録日2018-11-21
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
5FZK
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BU of 5fzk by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment N,3-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5- carboxamide (N10051a) (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, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, Collins, P, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-14
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment N,3-Dimethyl-N-(Pyridin-3-Ylmethyl)-1,2-Oxazole-5-Carboxamide (N10051A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
6HP9
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BU of 6hp9 by Molmil
Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor
分子名称: (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide, Epithelial discoidin domain-containing receptor 1
著者Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
登録日2018-09-19
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy.
J.Med.Chem., 62, 2019
6IBD
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BU of 6ibd by Molmil
The Phosphatase and C2 domains of Human SHIP1
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Williams, E.P, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2018-11-29
公開日2019-01-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
2YPD
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BU of 2ypd by Molmil
Crystal structure of the Jumonji domain of human Jumonji domain containing 1C protein
分子名称: 2-(ETHYLMERCURI-THIO)-BENZOIC ACID, PROBABLE JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROT EIN 2C, SODIUM ION
著者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.
登録日2012-10-30
公開日2012-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Jumonji Domain of Human Jumonji Domain Containing 1C Protein
To be Published
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

225946

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