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1NA0
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Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, ACETATE ION, CHLORIDE ION, ...
著者Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L.
登録日2002-11-26
公開日2003-06-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
Structure, 11, 2003
1E8B
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Solution structure of 6F11F22F2, a compact three-module fragment of the gelatin-binding domain of human fibronectin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FIBRONECTIN
著者Pickford, A.R, Smith, S.P, Staunton, D, Boyd, J, Campbell, I.D.
登録日2000-09-18
公開日2000-10-15
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding
Embo J., 20, 2001
5A8X
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BU of 5a8x by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J.
登録日2015-07-17
公開日2016-08-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
4PHB
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BU of 4phb by Molmil
Structure of the polysaccharide lyase-like protein Cthe_2159 from C. thermocellum, Gadolinium derivative
分子名称: GADOLINIUM ATOM, Uncharacterized protein
著者Close, D.W, D'Angelo, S, Bradbury, A.R.M.
登録日2014-05-06
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1781 Å)
主引用文献A new family of beta-helix proteins with similarities to the polysaccharide lyases.
Acta Crystallogr.,Sect.D, 70, 2014
5HVH
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BU of 5hvh by Molmil
Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with two Inhibitory Nanobodies
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, Carboxypeptidase B2, ...
著者Zhou, X, Weeks, S.D, Strelkov, S.V, Declerck, P.J.
登録日2016-01-28
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.
J.Thromb.Haemost., 14, 2016
5HY8
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BU of 5hy8 by Molmil
Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
著者Saraswathi, N.T, Pannu, N.S, Syakhovich, V.E, Saurabh, A, Bokut, S.B, Moras, D, Ruff, M.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes
To Be Published
5A0F
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BU of 5a0f by Molmil
Crystal structure of Yersinia Afp18-modified RhoA
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
著者Jank, T, Schimpl, M, van Aalten, D.M.
登録日2015-04-20
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos.
Nat Commun, 6, 2015
3CTT
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BU of 3ctt by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with Casuarine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CASUARINE, GLYCEROL, ...
著者Sim, L, Rose, D.R.
登録日2008-04-14
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Total syntheses of casuarine and its 6-O-alpha-glucoside: complementary inhibition towards glycoside hydrolases of the GH31 and GH37 families
Chemistry, 15, 2009
5A57
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BU of 5a57 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with PUGT
分子名称: (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5OLY
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5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, monoclinic crystal form
分子名称: 6-O-phosphono-alpha-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
著者Bowler, M.W, von Velsen, J.
登録日2017-07-28
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
4GIP
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BU of 4gip by Molmil
Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 (PIV5) fusion protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1, Fusion glycoprotein F2
著者Welch, B.D, Liu, Y, Kors, C.A, Leser, G.P, Jardetzky, T.S, Lamb, R.A.
登録日2012-08-08
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 fusion protein.
Proc.Natl.Acad.Sci.USA, 109, 2012
5O9Q
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BU of 5o9q by Molmil
Crystal structure of ScGas2 in complex with compound 6
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,3-beta-glucanosyltransferase GAS2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
登録日2017-06-20
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
1NX9
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BU of 1nx9 by Molmil
Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin
分子名称: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, GLYCEROL, alpha-amino acid ester hydrolase
著者Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Janssen, D.B, Dijkstra, B.W.
登録日2003-02-10
公開日2004-03-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME.
J.Biol.Chem., 281, 2006
5OA2
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BU of 5oa2 by Molmil
Crystal structure of ScGas2 in complex with compound 8
分子名称: 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, SULFATE ION, ...
著者Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
登録日2017-06-20
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
4G9N
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BU of 4g9n by Molmil
Crystal structure of the Rhizoctonia solani agglutinin in complex with N'-acetyl-galactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, agglutinin
著者Skamnaki, V.T, Kantsadi, A.L, Leonidas, D.D.
登録日2012-07-24
公開日2013-06-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the Rhizoctonia solani agglutinin reveals a domain-swapping dimeric assembly.
Febs J., 280, 2013
4PEU
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BU of 4peu by Molmil
Structure of the polysaccharide lyase-like protein Cthe_2159 from C. thermocellum, native form with Calcium bound
分子名称: CALCIUM ION, Uncharacterized protein
著者Close, D.W, D'Angelo, S, Bradbury, A.R.M.
登録日2014-04-24
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8001 Å)
主引用文献A new family of beta-helix proteins with similarities to the polysaccharide lyases.
Acta Crystallogr.,Sect.D, 70, 2014
5O9R
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BU of 5o9r by Molmil
Crystal structure of ScGas2 in complex with compound 9
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ...
著者Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
登録日2017-06-20
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
7AWT
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BU of 7awt by Molmil
E. coli NADH quinone oxidoreductase hydrophilic arm
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Schimpf, J, Grishkovskaya, I, Haselbach, D, Friedrich, T.
登録日2020-11-09
公開日2021-09-15
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structure of the peripheral arm of a minimalistic respiratory complex I.
Structure, 30, 2022
5A0B
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BU of 5a0b by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
分子名称: (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
登録日2015-04-17
公開日2015-08-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
3VGF
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BU of 3vgf by Molmil
Crystal structure of glycosyltrehalose trehalohydrolase (D252S) complexed with maltotriosyltrehalose
分子名称: CITRATE ANION, GLYCEROL, Malto-oligosyltrehalose trehalohydrolase, ...
著者Okazaki, N, Tamada, T, Feese, M.D, Kato, M, Miura, Y, Komeda, T, Kobayashi, K, Kondo, K, Kuroki, R.
登録日2011-08-09
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate recognition mechanism of a glycosyltrehalose trehalohydrolase from Sulfolobus solfataricus KM1.
Protein Sci., 21, 2012
4P85
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BU of 4p85 by Molmil
Crystal structure of Est-Y29, a novel penicillin-binding protein/beta-lactamase homolog from a metagenomic library
分子名称: DIETHYL PHOSPHONATE, Est-Y29
著者Ngo, T.D, Ryu, B.H, Ju, H.S, Jang, E.J, Kim, K.K, Kim, D.H.
登録日2014-03-30
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic analysis and biochemical applications of a novel penicillin-binding protein/ beta-lactamase homologue from a metagenomic library.
Acta Crystallogr.,Sect.D, 70, 2014
1NYE
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BU of 1nye by Molmil
Crystal structure of OsmC from E. coli
分子名称: Osmotically inducible protein C
著者Shin, D.H, Choi, I.-G, Busso, D, Jancarik, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2003-02-12
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of OsmC from Escherichia coli: a salt-shock-induced protein.
Acta Crystallogr.,Sect.D, 60, 2004
8HW6
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BU of 8hw6 by Molmil
Crystal structure of Heterodera glycines chitinase 2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Chen, W, Chen, Q, Wang, D, Yang, Q.
登録日2022-12-29
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.923 Å)
主引用文献Crystal structure of Heterodera glycines chitinase 2
To Be Published
3DBX
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BU of 3dbx by Molmil
Structure of chicken CD1-2 with bound fatty acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CD1-2 antigen, ...
著者Zajonc, D.M, Wilson, I.A.
登録日2008-06-02
公開日2008-11-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of avian CD1 reveals a smaller, more primordial antigen-binding pocket compared to mammalian CD1
Proc.Natl.Acad.Sci.Usa, 105, 2008
4GRL
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BU of 4grl by Molmil
Crystal structure of a autoimmune TCR-MHC complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II antigen, ...
著者Sethi, D.K, Wucherpfennig, K.W.
登録日2012-08-25
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Crossreactivity of a human autoimmune TCR is dominated by a single TCR loop.
Nat Commun, 4, 2013

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