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1CJK
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COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH ADENOSINE 5'-(ALPHA THIO)-TRIPHOSPHATE (RP), MG, AND MN
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ...
著者Tesmer, J.J.G, Sprang, S.R.
登録日1999-04-16
公開日1999-08-31
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Two-metal-Ion catalysis in adenylyl cyclase.
Science, 285, 1999
5J9S
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BU of 5j9s by Molmil
ENL YEATS in complex with histone H3 acetylation at K27
分子名称: H3K27ac peptide from Histone H3.1, Protein ENL, SULFATE ION
著者Li, Y, Li, H.
登録日2016-04-11
公開日2017-03-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献ENL links histone acetylation to oncogenic gene expression in acute myeloid leukaemia
Nature, 543, 2017
1INR
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CYTOKINE SYNTHESIS
分子名称: INTERLEUKIN-10
著者Walter, M.R.
登録日1995-07-31
公開日1996-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of interleukin 10 reveals an interferon gamma-like fold.
Biochemistry, 34, 1995
5BWZ
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BU of 5bwz by Molmil
Crystal structure of S39E HDAC8 in complex with Droxinostat
分子名称: Droxinostat, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Christianson, D.W.
登録日2015-06-08
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant.
Biochemistry, 58, 2019
1YRN
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BU of 1yrn by Molmil
CRYSTAL STRUCTURE OF THE MATA1/MATALPHA2 HOMEODOMAIN HETERODIMER BOUND TO DNA
分子名称: DNA (5'-D(*TP*AP*CP*AP*TP*GP*TP*AP*AP*TP*TP*TP*AP*TP*TP*AP*C P*AP*TP*CP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*AP*TP*GP*TP*AP*AP*TP*AP*AP*AP*TP*TP*A P*CP*AP*TP*G)-3'), PROTEIN (MAT A1 HOMEODOMAIN), ...
著者Li, T, Stark, M.R, Johnson, A.D, Wolberger, C.
登録日1995-11-02
公開日1996-01-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the MATa1/MAT alpha 2 homeodomain heterodimer bound to DNA.
Science, 270, 1995
5DC7
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BU of 5dc7 by Molmil
Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
2XPN
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Crystal structure of a Spt6-Iws1(Spn1) complex from Encephalitozoon cuniculi, Form I
分子名称: BROMIDE ION, CHROMATIN STRUCTURE MODULATOR, IWS1
著者Diebold, M.-L, Koch, M, Cura, V, Cavarelli, J, Romier, C.
登録日2010-08-27
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Structure of an Iws1/Spt6 Complex Reveals an Interaction Domain Conserved in Tfiis, Elongin a and Med26
Embo J., 29, 2010
5DC5
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BU of 5dc5 by Molmil
Crystal structure of D176N HDAC8 in complex with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
5DC6
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BU of 5dc6 by Molmil
Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
2OBQ
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Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
分子名称: Hepatitis C virus, ZINC ION
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2XPP
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BU of 2xpp by Molmil
Crystal structure of a Spt6-Iws1(Spn1) complex from Encephalitozoon cuniculi, Form III
分子名称: CHROMATIN STRUCTURE MODULATOR, IWS1
著者Diebold, M.-L, Koch, M, Cura, V, Cavarelli, J, Romier, C.
登録日2010-08-27
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The Structure of an Iws1/Spt6 Complex Reveals an Interaction Domain Conserved in Tfiis, Elongin a and Med26
Embo J., 29, 2010
4NFT
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BU of 4nft by Molmil
Crystal structure of human lnkH2B-h2A.Z-Anp32e
分子名称: Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z
著者Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z.
登録日2013-11-01
公開日2014-04-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014
1JBP
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BU of 1jbp by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Substrate Peptide, ADP and Detergent
分子名称: ADENOSINE-5'-DIPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN FORM, ...
著者Madhusudan, Trafny, E.A, Xuong, N.H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
登録日2001-06-06
公開日2001-06-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
5DC8
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BU of 5dc8 by Molmil
Crystal structure of H142A-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
1FMO
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BU of 1fmo by Molmil
CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE
分子名称: ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN
著者Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H.
登録日1997-07-08
公開日1998-01-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine.
Biochemistry, 36, 1997
5NSD
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BU of 5nsd by Molmil
Co-crystal structure of NAMPT dimer with KPT-9274
分子名称: (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ...
著者Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D.
登録日2017-04-26
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes.
Nat Commun, 9, 2018
5BQ8
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BU of 5bq8 by Molmil
Crystal structure of Norrin, a Wnt signalling activator, Crystal Form II
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Norrin
著者Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y.
登録日2015-05-28
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
5E8R
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BU of 5e8r by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
分子名称: CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
著者DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-14
公開日2015-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases.
Acs Chem.Biol., 11, 2016
1JLU
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BU of 1jlu by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Phosphorylated Substrate Peptide and Detergent
分子名称: AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
著者Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
登録日2001-07-16
公開日2001-08-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
1QJB
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14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 1)
分子名称: 14-3-3 PROTEIN ZETA/DELTA, PHOSPHOPEPTIDE
著者Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B.
登録日1999-06-23
公開日1999-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding
Mol.Cell, 4, 1999
1QJA
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14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 2)
分子名称: 14-3-3 PROTEIN ZETA, PHOSPHOPEPTIDE
著者Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B.
登録日1999-06-23
公開日1999-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding
Mol.Cell, 4, 1999
3ZOB
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BU of 3zob by Molmil
Solution structure of chicken Engrailed 2 homeodomain
分子名称: HOMEOBOX PROTEIN ENGRAILED-2
著者Carlier, L, Balayssac, S, Cantrelle, F.X, Khemtemourian, L, Chassaing, G, Joliot, A, Lequin, O.
登録日2013-02-21
公開日2013-08-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Investigation of Homeodomain Membrane Translocation Properties: Insights from the Structure Determination of Engrailed-2 Homeodomain in Aqueous and Membrane-Mimetic Environments.
Biophys.J., 105, 2013
2MEV
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BU of 2mev by Molmil
STRUCTURAL REFINEMENT AND ANALYSIS OF MENGO VIRUS
分子名称: MENGO VIRUS COAT PROTEIN (SUBUNIT VP1), MENGO VIRUS COAT PROTEIN (SUBUNIT VP2), MENGO VIRUS COAT PROTEIN (SUBUNIT VP3), ...
著者Rossmann, M.G.
登録日1989-04-21
公開日1990-01-15
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural refinement and analysis of Mengo virus.
J.Mol.Biol., 211, 1990
8USS
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IL17A complexed to Compound 7
分子名称: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8USR
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IL17A homodimer complexed to Compound 23
分子名称: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024

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