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4ZQA
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BU of 4zqa by Molmil
Crystal Structure of the Sds3 Dimerization Domain
分子名称: Sin3 histone deacetylase corepressor complex component SDS3
著者Chan, C.W, Mondragon, A, Clark, M, Radhakrishnan, I.
登録日2015-05-08
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
8HAY
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BU of 8hay by Molmil
d4-bound btDPP4
分子名称: (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4
著者Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
登録日2022-10-27
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
1P5T
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BU of 1p5t by Molmil
Crystal Structure of Dok1 PTB Domain
分子名称: Docking protein 1
著者Shi, N, Ye, S, Liu, Y, Zhou, W, Ding, Y, Lou, Z, Qiang, B, Yuan, J, Rao, Z.
登録日2003-04-28
公開日2004-02-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for the Specific Recognition of RET by the Dok1 Phosphotyrosine Binding Domain
J.BIOL.CHEM., 279, 2004
4N6Z
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BU of 4n6z by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4YKN
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BU of 4ykn by Molmil
Pi3K alpha lipid kinase with Active Site Inhibitor
分子名称: 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein
著者Elkins, P.A.
登録日2015-03-04
公開日2015-06-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6, 2015
2MUU
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BU of 2muu by Molmil
The Proteolytic Activity of Ubiquitin-specific Protease 28 Is Modulated by the N-terminal Domain
分子名称: Ubiquitin carboxyl-terminal hydrolase 28
著者Wen, Y, Shi, L, Zhang, N.
登録日2014-09-17
公開日2016-04-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The N-terminal ubiquitin-binding region of ubiquitin-specific protease 28 modulates its deubiquitination function: NMR structural and mechanistic insights.
Biochem.J., 471, 2015
3HA8
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BU of 3ha8 by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
分子名称: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
3I19
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BU of 3i19 by Molmil
1.4 Angstrom Crystal Structure of Fluorescent Protein Cypet
分子名称: Green fluorescent protein
著者Hu, X.
登録日2009-06-25
公開日2010-06-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献1.4 Angstrom Crystal Structure of Fluorescent Protein Cypet
To be Published
3HA6
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BU of 3ha6 by Molmil
Crystal structure of aurora A in complex with TPX2 and compound 10
分子名称: N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
2N2H
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BU of 2n2h by Molmil
Solution structure of Sds3 in complex with Sin3A
分子名称: Paired amphipathic helix protein Sin3a, Sin3 histone deacetylase corepressor complex component SDS3
著者Clark, M, Radhakrishnan, I.
登録日2015-05-08
公開日2015-07-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
2MKV
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BU of 2mkv by Molmil
Structure of the NA,K-ATPASE regulatory protein FXYD2b in micelles
分子名称: Sodium/potassium-transporting ATPase subunit gamma
著者Marassi, F.M, Gong, X.
登録日2014-02-13
公開日2014-05-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the Na,K-ATPase regulatory protein FXYD2b in micelles: Implications for membrane-water interfacial arginines.
Biochim.Biophys.Acta, 1848, 2015
4H47
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BU of 4h47 by Molmil
1.9 angstrom CyPet structure at pH5.2
分子名称: ACETATE ION, Green fluorescent protein, SULFATE ION
著者Hu, X.-J, Liu, R.
登録日2012-09-17
公開日2013-09-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights of the fluorescent states of CyPet
To be Published
4H48
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BU of 4h48 by Molmil
1.45 angstrom CyPet Structure at pH7.0
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein
著者Hu, X.-J, Liu, R.
登録日2012-09-17
公開日2013-09-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure insight of the fluorescent state of CyPet
To be Published
4O33
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BU of 4o33 by Molmil
Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
著者Li, X.L, Finci, L.I, Wang, J.H.
登録日2013-12-18
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
6VKL
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BU of 6vkl by Molmil
Negative stain reconstruction of the yeast exocyst octameric complex.
分子名称: Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ...
著者Frost, A, Munson, M.
登録日2020-01-21
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Exocyst structural changes associated with activation of tethering downstream of Rho/Cdc42 GTPases.
J. Cell Biol., 219, 2020
4O3F
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BU of 4o3f by Molmil
Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
著者Li, X.L, Finci, I.L, Wang, J.H.
登録日2013-12-18
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
2I1R
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BU of 2i1r by Molmil
Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure
分子名称: (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE, RNA-directed RNA polymerase (NS5B) (P68)
著者Yao, N, Yan, S.
登録日2006-08-14
公開日2006-10-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure.
Bioorg.Med.Chem.Lett., 17, 2007
4Z2B
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BU of 4z2b by Molmil
The structure of human PDE12 residues 161-609 in complex with GSK3036342A
分子名称: 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
登録日2015-03-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
4Z0V
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BU of 4z0v by Molmil
The structure of human PDE12 residues 161-609
分子名称: 2',5'-phosphodiesterase 12, GLYCEROL, MAGNESIUM ION
著者Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
登録日2015-03-26
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
6NTE
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BU of 6nte by Molmil
Crystal Structure of Synechocystis Dihydroxyacid Dehydratase (DHAD)
分子名称: Dihydroxy-acid dehydratase
著者MacTavish, B, Bruner, S.
登録日2019-01-29
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Cyanobacterial Dihydroxyacid Dehydratases Are a Promising Growth Inhibition Target.
Acs Chem.Biol., 15, 2020
3GEX
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BU of 3gex by Molmil
1.6 angstrom crystal structure of fluorescent protein Cypet
分子名称: Green fluorescent protein
著者Hu, X, Liu, R.
登録日2009-02-26
公開日2010-03-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.6 angstrom crystal structure of fluorescent protein Cypet
To be Published
6A73
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BU of 6a73 by Molmil
Complex structure of CSN2 with IP6
分子名称: COP9 signalosome complex subunit 2,Endolysin, INOSITOL HEXAKISPHOSPHATE, SULFATE ION
著者Liu, L, Li, D, Rao, F, Wang, T.
登録日2018-07-02
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Basis for metabolite-dependent Cullin-RING ligase deneddylation by the COP9 signalosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
3T9I
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BU of 3t9i by Molmil
Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution
分子名称: 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol, Proto-oncogene serine/threonine-protein kinase pim-1
著者Bellamacina, C, Shu, W, Le, V, Nishiguchi, G, Bussiere, D.
登録日2011-08-02
公開日2011-10-12
最終更新日2011-11-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases.
Bioorg.Med.Chem.Lett., 21, 2011
6KCZ
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BU of 6kcz by Molmil
Solution structure of the ZnF-UBP domain of USP20/VDU2
分子名称: Ubiquitin carboxyl-terminal hydrolase 20, ZINC ION
著者Yang, Y, Wen, Y, Zhang, N.
登録日2019-06-30
公開日2019-07-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional studies of USP20 ZnF-UBP domain by NMR.
Protein Sci., 28, 2019
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-07-22
公開日2015-08-12
最終更新日2015-09-02
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015

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