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6T2B
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BU of 6t2b by Molmil
Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+.
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H.
登録日2019-10-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
3I5R
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BU of 3i5r by Molmil
PI3K SH3 domain in complex with a peptide ligand
分子名称: Peptide ligand, Phosphatidylinositol 3-kinase regulatory subunit alpha
著者Batra-Safferling, R, Granzin, J, Modder, S, Hoffmann, S, Willbold, D.
登録日2009-07-06
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of the phosphatidylinositol 3-kinase (PI3K) SH3 domain in complex with a peptide ligand: role of the anchor residue in ligand binding.
Biol.Chem., 391, 2010
3I5S
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BU of 3i5s by Molmil
Crystal structure of PI3K SH3
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION
著者Batra-Safferling, R, Granzin, J, Modder, S, Hoffmann, S, Willbold, D.
登録日2009-07-06
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural studies of the phosphatidylinositol 3-kinase (PI3K) SH3 domain in complex with a peptide ligand: role of the anchor residue in ligand binding.
Biol.Chem., 391, 2010
1YG9
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BU of 1yg9 by Molmil
The structure of mutant (N93Q) of bla g 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aspartic protease Bla g 2, ...
著者Li, M, Gustchina, A, Wuenschmann, S, Pomes, A, Wlodawer, A.
登録日2005-01-04
公開日2005-03-22
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of cockroach allergen Bla g 2, an unusual zinc binding aspartic protease with a novel mode of self-inhibition.
J.Mol.Biol., 348, 2005
6TFP
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BU of 6tfp by Molmil
BTK in complex with LOU064, a potent and highly selective covalent inhibitor
分子名称: SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
著者Scheufler, C, Hinniger, A, Gutmann, S.
登録日2019-11-14
公開日2020-03-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 63, 2020
6OY4
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BU of 6oy4 by Molmil
Crystal structure of complex between recombinant Der p 2.0103 and Fab fragment of 7A1
分子名称: Der p 2 variant 3, Fab fragment of IgG, HEAVY CHAIN, ...
著者Kapingidza, A.B, Offermann, L.R, Glesner, J, Wunschmann, S, Vailes, L.D, Chapman, M.D.C, Pomes, A, Chruszcz, M.
登録日2019-05-14
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A Human IgE Antibody Binding Site on Der p 2 for the Design of a Recombinant Allergen for Immunotherapy.
J Immunol., 203, 2019
1RI1
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BU of 1ri1 by Molmil
Structure and mechanism of mRNA cap (guanine N-7) methyltransferase
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, S-ADENOSYL-L-HOMOCYSTEINE, mRNA CAPPING ENZYME
著者Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D.
登録日2003-11-16
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
4J7Z
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BU of 4j7z by Molmil
Thermus thermophilus DNAJ J- and G/F-DOMAINS
分子名称: Chaperone protein DnaJ 2, GLYCEROL
著者Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J.
登録日2013-02-14
公開日2013-07-31
最終更新日2024-02-28
実験手法EPR (1.64 Å), X-RAY DIFFRACTION
主引用文献Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ.
Acta Crystallogr.,Sect.D, 69, 2013
4J80
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BU of 4j80 by Molmil
Thermus thermophilus DnaJ
分子名称: Chaperone protein DnaJ 2
著者Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J.
登録日2013-02-14
公開日2013-07-31
最終更新日2013-10-09
実験手法EPR (2.9 Å), X-RAY DIFFRACTION
主引用文献Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ.
Acta Crystallogr.,Sect.D, 69, 2013
1RI3
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BU of 1ri3 by Molmil
Structure and mechanism of mRNA cap (guanine N-7) methyltransferase
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, mRNA CAPPING ENZYME
著者Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D.
登録日2003-11-16
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
1RI2
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BU of 1ri2 by Molmil
Structure and mechanism of mRNA cap (guanine N-7) methyltransferase
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, mRNA CAPPING ENZYME
著者Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D.
登録日2003-11-16
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
1RI5
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BU of 1ri5 by Molmil
Structure and mechanism of mRNA cap (guanine N-7) methyltransferase
分子名称: mRNA CAPPING ENZYME
著者Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2003-11-16
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
1RI4
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BU of 1ri4 by Molmil
Structure and mechanism of mRNA cap (guanine N-7) methyltransferase
分子名称: S-ADENOSYLMETHIONINE, mRNA CAPPING ENZYME
著者Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D.
登録日2003-11-16
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
1TR7
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BU of 1tr7 by Molmil
FimH adhesin receptor binding domain from uropathogenic E. coli
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, FimH protein, ...
著者Bouckaert, J, Berglund, J, Schembri, M, De Genst, E, Cools, L, Wuhrer, M, Hung, C.S, Pinkner, J, Slattegard, R, Zavialov, A, Choudhury, D, Langermann, S, Hultgren, S.J, Wyns, L, Klemm, P, Oscarson, S, Knight, S.D, De Greve, H.
登録日2004-06-21
公開日2005-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Receptor binding studies disclose a novel class of high-affinity inhibitors of the Escherichia coli FimH adhesin
Mol.Microbiol., 55, 2005
5CVS
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BU of 5cvs by Molmil
GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose
分子名称: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S.
登録日2015-07-27
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
1R3O
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BU of 1r3o by Molmil
Crystal structure of the first RNA duplex in L-conformation at 1.9A resolution
分子名称: L-RNA
著者Vallazza, M, Perbandt, M, Klussmann, S, Rypniewski, W, Erdmann, V.A, Betzel, C.
登録日2003-10-02
公開日2003-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献First look at RNA in L-configuration.
Acta Crystallogr.,Sect.D, 60, 2004
2LBU
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BU of 2lbu by Molmil
HADDOCK calculated model of Congo red bound to the HET-s amyloid
分子名称: Small s protein, sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
著者Schutz, A.K, Soragni, A, Hornemann, S, Aguzzi, A, Ernst, M, Bockmann, A, Meier, B.H.
登録日2011-04-07
公開日2011-06-01
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献The Amyloid-Congo Red Interface at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 2011
2L2Y
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BU of 2l2y by Molmil
Thiostrepton, epimer form of residue 9
分子名称: Thiostrepton
著者Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
登録日2010-08-27
公開日2011-02-02
最終更新日2013-06-26
実験手法SOLUTION NMR
主引用文献NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
2L2X
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BU of 2l2x by Molmil
Thiostrepton, oxidized at CA-CB bond of residue 9
分子名称: Thiostrepton
著者Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
登録日2010-08-27
公開日2011-02-02
最終更新日2013-06-26
実験手法SOLUTION NMR
主引用文献NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
5K6V
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BU of 5k6v by Molmil
Sidekick-1 immunoglobulin domains 1-4, crystal form 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein sidekick-1, ...
著者Jin, X, Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.208 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
5K6W
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BU of 5k6w by Molmil
Sidekick-1 immunoglobulin domains 1-5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
2LVL
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BU of 2lvl by Molmil
NMR Structure the lantibiotic immunity protein SpaI
分子名称: SpaI
著者Christ, N, Bochmann, S, Gottstein, D, Duchardt-Ferner, E, Hellmich, U.A, Duesterhus, S, Koetter, P, Guentert, P, Entian, K, Woehnert, J.
登録日2012-07-06
公開日2012-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The First Structure of a Lantibiotic Immunity Protein, SpaI from Bacillus subtilis, Reveals a Novel Fold.
J.Biol.Chem., 287, 2012
5K70
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BU of 5k70 by Molmil
Sidekick-2 immunoglobulin domains 1-4 H18R/N22S mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ...
著者Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
5K6U
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BU of 5k6u by Molmil
Sidekick-1 immunoglobulin domains 1-4, crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CESIUM ION, IODIDE ION, ...
著者Jin, X, Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
5K6X
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BU of 5k6x by Molmil
Sidekick-2 immunoglobulin domains 1-4, crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016

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