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7UFV
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BU of 7ufv by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION
著者Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-03-23
公開日2022-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
7YXX
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BU of 7yxx by Molmil
Cryo-EM structure of USP9X
分子名称: Probable ubiquitin carboxyl-terminal hydrolase FAF-X
著者Deme, J.C, Halabelian, L, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
登録日2022-02-16
公開日2022-03-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of USP9X
To Be Published
7YXY
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Cryo-EM structure of USP9X, local refinement of monomer
分子名称: Probable ubiquitin carboxyl-terminal hydrolase FAF-X
著者Deme, J.C, Halabelian, L, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
登録日2022-02-16
公開日2022-03-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of USP9X
To Be Published
1RYJ
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BU of 1ryj by Molmil
Solution NMR Structure of Protein Mth1743 from Methanobacterium thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH1743_1_70; Northeast Structural Genomics Consortium Target TT526.
分子名称: unknown
著者Yee, A, Chang, X, Pineda-Lucena, A, Wu, B, Semesi, A, Le, B, Ramelot, T, Lee, G.M, Bhattacharyya, S, Gutierrez, P, Denisov, A, Lee, C.H, Cort, J.R, Kozlov, G, Liao, J, Finak, G, Chen, L, Wishart, D, Lee, W, McIntosh, L.P, Gehring, K, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2003-12-22
公開日2004-02-24
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献AN NMR APPROACH TO STRUCTURAL PROTEOMICS
Proc.Natl.Acad.Sci.USA, 99, 2002
1TVI
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BU of 1tvi by Molmil
Solution structure of TM1509 from Thermotoga maritima: VT1, a NESGC target protein
分子名称: Hypothetical UPF0054 protein TM1509
著者Penhoat, C.H, Atreya, H.S, Kim, S, Li, Z, Yee, A, Xiao, R, Murray, D, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2004-06-29
公開日2005-01-04
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR solution structure of Thermotoga maritima protein TM1509 reveals a Zn-metalloprotease-like tertiary structure.
J.STRUCT.FUNCT.GENOM., 6, 2005
8DOA
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BU of 8doa by Molmil
Solution structure of a model HEEH mini-protein (HEEH_TK_rd5_0958)
分子名称: HEEH mini-protein TK_rd5_0958
著者Houliston, S, Kim, T.-E, Rocklin, G, Arrowsmith, C.H.
登録日2022-07-12
公開日2022-10-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TUJ
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BU of 7tuj by Molmil
NMR solution structure of the phosphorylated MUS81-binding region from human SLX4
分子名称: Structure-specific endonuclease subunit SLX4
著者Payliss, B.J, Reichheld, S.E, Lemak, A, Arrowsmith, C.H, Sharpe, S, Wyatt, H.D.M.
登録日2022-02-02
公開日2022-10-19
最終更新日2022-11-09
実験手法SOLUTION NMR
主引用文献Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease.
Cell Rep, 41, 2022
1TE4
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BU of 1te4 by Molmil
Solution structure of MTH187. Ontario Centre for Structural Proteomics target MTH0187_1_111; Northeast Structural Genomics Target TT740
分子名称: conserved protein MTH187
著者Gignac, I, Julien, O, Yee, A, Arrowsmith, C.H, Gagne, S.M, Northeast Structural Genomics Consortium (NESG)
登録日2004-05-24
公開日2004-07-13
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献MTH187 from Methanobacterium thermoautotrophicum has three HEAT-like Repeats.
J.Biomol.Nmr, 35, 2006
8SKX
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BU of 8skx by Molmil
Solution structure of the model miniprotein HHH_rd4_0518
分子名称: Miniprotein HHH_rd4_0518
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-20
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the model miniprotein HHH_rd4_0518
To Be Published
8SHM
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BU of 8shm by Molmil
The solution structure of the mini-protein EHEE_rd2_0005
分子名称: Mini-protein EHEE_rd2_0005
著者Houliston, S, Rocklin, G, Arrowsmith, C.H.
登録日2023-04-14
公開日2024-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The solution structure of the mini-protein EHEE_rd2_0005
To Be Published
8SKE
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BU of 8ske by Molmil
Solution structure of the model miniprotein EEHEE_rd4_0642
分子名称: Miniprotein EEHEE_rd4_0642
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-19
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Solution structure of the model miniprotein EEHEE_rd4_0642
To Be Published
8SKD
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BU of 8skd by Molmil
Solution Structure of the model miniprotein EEHEE_rd4_0871
分子名称: Miniprotein EEHEE_rd4_0871
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-19
公開日2024-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the model miniprotein EEHEE_rd4_0871
To Be Published
8G43
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BU of 8g43 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
分子名称: 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
著者Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2023-02-08
公開日2023-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8G45
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BU of 8g45 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe
分子名称: 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION
著者Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2023-02-08
公開日2023-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8G44
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BU of 8g44 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
分子名称: 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
著者Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2023-02-08
公開日2023-05-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
1EIJ
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BU of 1eij by Molmil
NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615
分子名称: HYPOTHETICAL PROTEIN MTH1615
著者Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
登録日2000-02-25
公開日2000-11-03
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
7UVE
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BU of 7uve by Molmil
Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac
分子名称: Histone-lysine N-methyltransferase eggless, peptide H3K9me2K14ac
著者Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2022-05-01
公開日2022-08-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac
To Be Published
7UW8
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BU of 7uw8 by Molmil
Drosophila melanogaster setdb1-tuor domain
分子名称: Histone-lysine N-methyltransferase eggless
著者Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2022-05-03
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Drosophila melanogaster setdb1-tuor domain
To Be Published
7RAY
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BU of 7ray by Molmil
Crystal structure of MBD2 with DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
著者Liu, K, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
登録日2021-07-05
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of MBD2 with DNA
To Be Published
7RBQ
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BU of 7rbq by Molmil
Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
分子名称: 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ...
著者Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-07-06
公開日2021-08-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
7UW7
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BU of 7uw7 by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
著者Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-05-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
To Be Published
7RUO
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BU of 7ruo by Molmil
Crystal structure of human UTP15
分子名称: U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION
著者Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-08-17
公開日2021-11-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human UTP15
To Be Published
7SLW
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BU of 7slw by Molmil
Complex structure of CDYL2 with an antagonist
分子名称: Chromodomain Y-like protein 2, GLYCEROL, UNKNOWN ATOM OR ION
著者Beldar, S, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2021-10-25
公開日2021-11-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complex structure of CDYL2 with an antagonist
To Be Published
7SSE
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BU of 7sse by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70
分子名称: DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
著者Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-11-10
公開日2021-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
7SLZ
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BU of 7slz by Molmil
CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
分子名称: Glucose-induced degradation protein 4 homolog, N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide
著者Song, X, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2021-10-25
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
To Be Published

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件を2024-05-15に公開中

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