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2Y68
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Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase
分子名称: 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid, AZIDE ION, CHLORIDE ION, ...
著者Tomasic, T, Zidar, N, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
登録日2011-01-20
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD).
J. Med. Chem., 54, 2011
4IMF
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BU of 4imf by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Acetylneuraminic acid
分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, CHLORIDE ION, ...
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
1HMA
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BU of 1hma by Molmil
THE SOLUTION STRUCTURE AND DYNAMICS OF THE DNA BINDING DOMAIN OF HMG-D FROM DROSOPHILA MELANOGASTER
分子名称: HMG-D
著者Jones, D.N.M, Searles, M.A, Shaw, G.L, Churchill, M.E.A, Ner, S.S, Keeler, J, Travers, A.A, Neuhaus, D.
登録日1994-05-12
公開日1994-07-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure and dynamics of the DNA-binding domain of HMG-D from Drosophila melanogaster.
Structure, 2, 1994
2QLN
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BU of 2qln by Molmil
Glycogen Phosphorylase b in complex with N-4-phenylbenzoyl-N'-beta-D-glucopyranosyl urea
分子名称: Glycogen phosphorylase, muscle form, N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
著者Oikonomakos, N.G, Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Leonidas, D.D, Sographos, S.E.
登録日2007-07-13
公開日2008-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation
To be Published
3CUU
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BU of 3cuu by Molmil
Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamides
分子名称: Glycogen phosphorylase, muscle form, N-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
著者Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-04-17
公開日2009-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
3CUT
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BU of 3cut by Molmil
Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamide
分子名称: Glycogen phosphorylase, muscle form, N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
著者Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-04-17
公開日2009-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
3IWY
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BU of 3iwy by Molmil
Crystal structure of human MDM2 complexed with D-peptide (12 residues)
分子名称: D-peptide inhibitor, E3 ubiquitin-protein ligase Mdm2
著者Pazgier, M, Lu, W.
登録日2009-09-03
公開日2010-04-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献D-peptide inhibitors of the p53-MDM2 interaction for targeted molecular therapy of malignant neoplasms.
Proc.Natl.Acad.Sci.USA, 398, 2010
3KCL
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BU of 3kcl by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Cd2+ cations and d12-D-alpha-glucose in the ring form (refined jointly with X-ray structure 3KBM)
分子名称: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
著者Kovalevsky, A.Y, Langan, P.
登録日2009-10-21
公開日2010-06-16
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
1Q74
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BU of 1q74 by Molmil
The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)
分子名称: 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB), 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ZINC ION
著者Maynes, J.T, Garen, C, Cherney, M.M, Newton, G, Arad, D, Av-Gay, Y, Fahey, R.C, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2003-08-15
公開日2003-12-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of 1-D-myo-Inositol 2-Acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB) from Mycobacterium tuberculosis Reveals a Zinc Hydrolase with a Lactate Dehydrogenase Fold.
J.Biol.Chem., 278, 2003
4P7N
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BU of 4p7n by Molmil
Structure of Escherichia coli PgaB C-terminal domain in complex with glucosamine
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
著者Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
登録日2014-03-27
公開日2014-07-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
3K9Y
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BU of 3k9y by Molmil
Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CYMAL-5
分子名称: 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ...
著者Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D.
登録日2009-10-16
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism.
J.Mol.Biol., 396, 2010
3G2K
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BU of 3g2k by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole
分子名称: 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
295D
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BU of 295d by Molmil
CRYSTAL AND SOLUTION STRUCTURES OF THE OLIGONUCLEOTIDE D(ATGCGCAT)2: A COMBINED X-RAY AND NMR STUDY
分子名称: DNA (5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3')
著者Clark, G.R, Brown, D.G, Sanderson, M.R, Chwalinski, T, Neidle, S, Veal, J.M, Jones, R.L, Wilson, W.D, Zon, G, Garman, E, Stuart, D.I.
登録日1991-05-28
公開日1996-12-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal and solution structures of the oligonucleotide d(ATGCGCAT)2: a combined X-ray and NMR study.
Nucleic Acids Res., 18, 1990
1H3M
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BU of 1h3m by Molmil
Structure of 4-diphosphocytidyl-2C-methyl-D-erythritol synthetase
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLORIDE ION, PENTANE-1,5-DIAMINE
著者Kemp, L.E, Bond, C.S, Hunter, W.N.
登録日2002-09-10
公開日2003-08-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a Tetragonal Crystal Form of Escherichia Coli 2-C-Methyl-D-Erythritol 4-Phosphate Cytidylyltransferase
Acta Crystallogr.,Sect.D, 59, 2003
4OBZ
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BU of 4obz by Molmil
Structure of Cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide
分子名称: 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B.
登録日2014-01-08
公開日2014-08-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3G2L
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BU of 3g2l by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase
分子名称: 1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3MQF
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BU of 3mqf by Molmil
Glycogen phosphorylase complexed with 4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-28
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MRT
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BU of 3mrt by Molmil
Glycogen phosphorylase complexed with 4-pyridinecarboxaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MSC
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BU of 3msc by Molmil
Glycogen phosphorylase complexed with 2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-03-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献The binding of beta-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors.
Bioorg.Med.Chem., 18, 2010
3MTA
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BU of 3mta by Molmil
Glycogen phosphorylase complexed with 3-bromobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-30
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MT9
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BU of 3mt9 by Molmil
Glycogen phosphorylase complexed with 4-nitrobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-30
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3KBM
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BU of 3kbm by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
分子名称: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
1V40
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BU of 1v40 by Molmil
First Inhibitor Complex Structure of Human Hematopoietic Prostaglandin D Synthase
分子名称: 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM, GLUTATHIONE, GLYCEROL, ...
著者Inoue, T, Okano, Y, Kado, Y, Aritake, K, Irikura, D, Uodome, N, Kinugasa, S, Okazaki, N, Matsumura, H, Kai, Y, Urade, Y.
登録日2003-11-07
公開日2004-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献First determination of the inhibitor complex structure of human hematopoietic prostaglandin D synthase.
J.Biochem.(Tokyo), 135, 2004
3NC4
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BU of 3nc4 by Molmil
The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-06-04
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
4P7Q
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Structure of Escherichia coli PgaB C-terminal domain in complex with N-acetylglucosamine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
著者Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
登録日2014-03-27
公開日2014-07-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014

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