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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
分子名称: ACETATE ION, GLYCEROL, Histone H4, ...
著者Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-01-30
公開日2020-03-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
著者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)
登録日2020-01-13
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
to be published
6W6D
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BU of 6w6d by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor
分子名称: (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-03-16
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6.
J.Med.Chem., 64, 2021
6WAJ
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BU of 6waj by Molmil
Crystal structure of the UBL domain of human NLE1
分子名称: NLE1, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-03-25
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the UBL domain of human NLE1
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
分子名称: 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者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)
登録日2020-03-25
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
to be published
6CUI
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BU of 6cui by Molmil
Solution structure of the Extraterminal (ET) Domain of BRD2
分子名称: Bromodomain-containing protein 2
著者Houliston, S, Lemak, A, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H.
登録日2018-03-26
公開日2019-03-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the Extraterminal (ET) Domain of BRD2
To Be Published
6OE7
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BU of 6oe7 by Molmil
Crystal structure of HMCES cross-linked to DNA abasic site
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*(DRZ)P*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ...
著者Halabelian, L, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-03-27
公開日2019-04-24
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
6OQM
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BU of 6oqm by Molmil
crystal structure of the MSH6 PWWP domain
分子名称: DNA mismatch repair protein Msh6, MAGNESIUM ION, SULFATE ION, ...
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-04-26
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献crystal structure of the MSH6 PWWP domain
To Be Published
6PED
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BU of 6ped by Molmil
Crystal structure of HEMK2-TRMT112 complex
分子名称: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2019-06-20
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of HEMK2-TRMT112 complex
To Be Published
6P0Q
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BU of 6p0q by Molmil
Crystal Structure of Ubiquitin-like Domain of Human WDR12
分子名称: 1,2-ETHANEDIOL, Ribosome biogenesis protein WDR12
著者Halabelian, L, Dong, A, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-05-17
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal Structure of Ubiquitin-like Domain of Human WDR12
to be published
6PDM
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BU of 6pdm by Molmil
Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
分子名称: Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION
著者Halabelian, L, Tempel, W, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
To Be Published
6P0R
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BU of 6p0r by Molmil
Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
分子名称: (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ...
著者Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2019-05-17
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
to be published
6P7I
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BU of 6p7i by Molmil
Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound
分子名称: GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ...
著者Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2019-06-05
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor
J.Med.Chem., 63, 2020
6PBG
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BU of 6pbg by Molmil
Crystal structure of WD-repeat domain of human coatomer subunit Alpha (COPA)
分子名称: Coatomer subunit alpha, L(+)-TARTARIC ACID, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-06-13
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of W repeat domain of human coatomer subunit Alpha (COPA)
to be published
6PFL
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BU of 6pfl by Molmil
Crystal structure of Human HUWE1 WWE domain in complex with ADPR
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, E3 ubiquitin-protein ligase HUWE1, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-06-21
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Human HUWE1 WWE domain in complex with ADPR
to be published
6P9G
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BU of 6p9g by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid
分子名称: (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ...
著者Tempel, W, Mann, M.K, Harding, R.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC)
登録日2019-06-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019
6QD5
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BU of 6qd5 by Molmil
X-ray Structure of the Human Urea Channel SLC14A1/UT1
分子名称: CHOLESTEROL HEMISUCCINATE, TETRAETHYLENE GLYCOL, Urea transporter 1, ...
著者Dietz, L, Chi, G, Pike, A.C.W, Moreau, C, Man, H, Snee, M, Scacioc, A, Shrestha, L, Mukhopadhyay, S.M.M, Mckinley, G, Ellis, K, Kliszcak, M, Chalk, R, Borkowska, O, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Durr, K.L, Structural Genomics Consortium (SGC)
登録日2018-12-31
公開日2019-01-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献X-ray Structure of the Human Urea Channel SLC14A1/UT1
To Be Published
6QU2
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BU of 6qu2 by Molmil
Crystal structure of DYRK1A complexed with FC162 inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one, DIMETHYL SULFOXIDE, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-02-26
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of DYRK1A complexed with FC162 inhibitor
To Be Published
6QZL
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BU of 6qzl by Molmil
Structure of the H1 domain of human KCTD12
分子名称: BTB/POZ domain-containing protein KCTD12
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, 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2019-03-11
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of the H1 domain of human KCTD12
To be published
6QNV
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BU of 6qnv by Molmil
Fibrinogen-like globe domain of Human Tenascin-C
分子名称: Tenascin
著者Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
登録日2019-02-12
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fibrinogen-like globe domain of Human Tenascin-C
To Be Published
6QPL
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BU of 6qpl by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor MS31
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-02-14
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
6RBI
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BU of 6rbi by Molmil
Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
分子名称: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
著者Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-04-10
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
6RCG
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BU of 6rcg by Molmil
Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor
分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, ~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-04-11
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor
To Be Published
6RCH
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BU of 6rch by Molmil
Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor
分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SODIUM ION, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-04-11
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor
To Be Published
6RCT
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Crystal structure of CLK3 in complex with T3-CLK
分子名称: 1,2-ETHANEDIOL, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide, Dual specificity protein kinase CLK3
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-04-11
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structure of CLK3 in complex with TP003
To Be Published

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