1O7L
 
 | |
2IUZ
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine | | 分子名称: | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CHITINASE, SULFATE ION | | 著者 | Schuttelkopf, A.W, Andersen, O.A, Rao, F.V, Allwood, M, Lloyd, C.M, Eggleston, I.M, Van Aalten, D.M.F. | | 登録日 | 2006-06-08 | | 公開日 | 2006-06-12 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Screening-Based Discovery and Structural Dissection of a Novel Family 18 Chitinase Inhibitor
J.Biol.Chem., 281, 2006
|
|
2XSA
 | |
2XSB
 | | OgOGA PUGNAc complex | | 分子名称: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHLORIDE ION, HYALURONOGLUCOSAMINIDASE | | 著者 | Schuttelkopf, A.W, van Aalten, D.M.F. | | 登録日 | 2010-09-27 | | 公開日 | 2011-03-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
|
|
4BFL
 | |
1NP6
 | | Crystal structure of Escherichia coli MobB | | 分子名称: | Molybdopterin-guanine dinucleotide biosynthesis protein B, SULFATE ION | | 著者 | McLuskey, K, Harrison, J.A, Schuttelkopf, A.W, Boxer, D.H, Hunter, W.N. | | 登録日 | 2003-01-17 | | 公開日 | 2003-04-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Insight into the role of Escherichia coli MobB in Molybdenum cofactor biosynthesis based on the high resolution crystal structure
J.Biol.Chem., 278, 2003
|
|
2C1I
 | | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) D 275 N Mutant. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PEPTIDOGLYCAN GLCNAC DEACETYLASE, SULFATE ION, ... | | 著者 | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | | 登録日 | 2005-09-15 | | 公開日 | 2005-09-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
|
|
2C1G
 | | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, PEPTIDOGLYCAN GLCNAC DEACETYLASE, ... | | 著者 | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | | 登録日 | 2005-09-14 | | 公開日 | 2005-09-15 | | 最終更新日 | 2018-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
|
|
2IW0
 | | Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum | | 分子名称: | ACETATE ION, CHITIN DEACETYLASE, CHLORIDE ION, ... | | 著者 | Blair, D.E, Hekmat, O, Schuttelkopf, A.W, Shrestha, B, Tokuyasu, K, Withers, S.G, van Aalten, D.M.F. | | 登録日 | 2006-06-23 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
|
|
2XVN
 | | A. fumigatus chitinase A1 phenyl-methylguanylurea complex | | 分子名称: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION | | 著者 | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | | 登録日 | 2010-10-26 | | 公開日 | 2010-11-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
|
|
2XUC
 | | Natural product-guided discovery of a fungal chitinase inhibitor | | 分子名称: | 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ... | | 著者 | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | | 登録日 | 2010-10-18 | | 公開日 | 2010-10-27 | | 最終更新日 | 2019-01-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
|
|
1UU8
 | | Structure of human PDK1 kinase domain in complex with BIM-1 | | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | 登録日 | 2003-12-16 | | 公開日 | 2004-03-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
|
|
1UU9
 | | Structure of human PDK1 kinase domain in complex with BIM-3 | | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | 登録日 | 2003-12-16 | | 公開日 | 2004-03-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
|
|
1UU7
 | | Structure of human PDK1 kinase domain in complex with BIM-2 | | 分子名称: | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | 登録日 | 2003-12-16 | | 公開日 | 2004-03-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
|
|
1UVR
 | | Structure of human PDK1 kinase domain in complex with BIM-8 | | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | | 著者 | Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | 登録日 | 2004-01-22 | | 公開日 | 2004-03-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
|
|
1UU3
 | | Structure of human PDK1 kinase domain in complex with LY333531 | | 分子名称: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | | 著者 | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | 登録日 | 2003-12-15 | | 公開日 | 2004-03-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
|
|
2CH9
 | | Crystal structure of dimeric human cystatin F | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Schuettelkopf, A.W, van Aalten, D.M.F. | | 登録日 | 2006-03-13 | | 公開日 | 2006-04-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
J.Biol.Chem., 281, 2006
|
|
2XTK
 | |
4UAL
 | | MRCK beta in complex with BDP00005290 | | 分子名称: | 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2014-08-10 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
|
|
4UAK
 | | MRCK beta in complex with ADP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2014-08-10 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
|
|
3ZJ0
 | | The human O-GlcNAcase C-terminal domain is a pseudo histone acetyltransferase | | 分子名称: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, ACETYLTRANSFERASE, ... | | 著者 | Rao, F.V, Schuettelkopf, A.W, Dorfmueller, H.C, Ferenbach, A.T, Navratilova, I, van Aalten, D.M.F. | | 登録日 | 2013-01-15 | | 公開日 | 2013-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of a Bacterial Putative Acetyltransferase Defines the Fold of the Human O-Glcnacase C-Terminal Domain.
Open Biol., 3, 2013
|
|
5OTF
 | | MRCK beta in complex with BDP-00009066 | | 分子名称: | (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2017-08-21 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Cancer Res., 78, 2018
|
|
5OTE
 | | MRCK beta in complex with BDP-00008900 | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole, CHLORIDE ION, ... | | 著者 | Schuettelkopf, A.W. | | 登録日 | 2017-08-21 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Cancer Res., 78, 2018
|
|
1H9R
 | | Tungstate bound complex Dimop domain of ModE from E.coli | | 分子名称: | MOLYBDENUM TRANSPORT PROTEIN MODE, NICKEL (II) ION, TUNGSTATE(VI)ION | | 著者 | Gourley, D.G, Hunter, W.N. | | 登録日 | 2001-03-19 | | 公開日 | 2001-06-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Oxyanion Binding Alters Conformational and Quaternary Structure of the C-Terminal Domain of the Transcriptional Regulator Mode; Implications for Molybdate-Dependant Regulation, Signalling, Storage and Transport
J.Biol.Chem., 276, 2001
|
|
2W62
 | | Saccharomyces cerevisiae Gas2p in complex with laminaripentaose | | 分子名称: | 1,4-BUTANEDIOL, GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | 著者 | Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F. | | 登録日 | 2008-12-16 | | 公開日 | 2009-01-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
|
|
