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5OX0
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Glycogen Phosphorylase in complex with CK898
Descriptor: (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2017-09-05
Release date:2018-02-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
1A80
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Native 2,5-DIKETO-D-GLUCONIC acid reductase a from CORYNBACTERIUM SP. complexed with nadph
Descriptor: 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Khurana, S, Powers, D.B, Anderson, S, Blaber, M.
Deposit date:1998-03-31
Release date:1999-03-30
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of 2,5-diketo-D-gluconic acid reductase A complexed with NADPH at 2.1-A resolution.
Proc.Natl.Acad.Sci.USA, 95, 1998
3IKN
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BU of 3ikn by Molmil
Crystal structure of galactose bound trimeric human lung surfactant protein D
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, beta-D-galactopyranose
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2009-08-06
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325
J.Mol.Biol., 394, 2009
4EL5
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BU of 4el5 by Molmil
Crystal structure of GPb in complex with DK12
Descriptor: 5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-10
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
3IKR
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BU of 3ikr by Molmil
Crystal structure of alpha 1-4 mannobiose bound trimeric human lung surfactant protein D
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2009-08-06
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325
J.Mol.Biol., 394, 2009
5C1O
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BU of 5c1o by Molmil
Crystal structure of AMP-PNP complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis
Descriptor: D-alanine--D-alanine ligase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Tran, H.T, Kang, L.W, Hong, M.K.
Deposit date:2015-06-15
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of D-alanine-D-alanine ligase from Yersinia pestis: nucleotide phosphate recognition by the serine loop.
Acta Crystallogr D Struct Biol, 72, 2016
3IKQ
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BU of 3ikq by Molmil
Crystal structure of alpha 1-2 mannobiose bound trimeric human lung surfactant protein D
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2009-08-06
Release date:2009-11-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325
J.Mol.Biol., 394, 2009
4HU2
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BU of 4hu2 by Molmil
Crystal structure of LdtMt2, a L,D-transpeptidase from Mycobacterium tuberculosis: domain A and B
Descriptor: PROBABLE CONSERVED LIPOPROTEIN LPPS, SULFATE ION
Authors:Both, D, Steiner, E, Lindqvist, Y, Schnell, R, Schneider, G.
Deposit date:2012-11-02
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of LdtMt2, an L,D-transpeptidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
3NP7
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BU of 3np7 by Molmil
Glycogen phosphorylase complexed with 2,5-dihydroxy-3-(beta-D-glucopyranosyl)-chlorobenzene and 2,5-dihydroxy-4-(beta-D-glucopyranosyl)-chlorobenzene
Descriptor: (1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol, (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, ...
Authors:Alexacou, K.-M.
Deposit date:2010-06-28
Release date:2011-06-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Halogen-substituted (C-beta-D-glucopyranosyl)-hydroquinone regioisomers: synthesis, enzymatic evaluation and their binding to glycogen phosphorylase.
Bioorg.Med.Chem., 19, 2011
296D
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BU of 296d by Molmil
SEQUENCE-DEPENDENT EFFECTS IN DRUG-DNA INTERACTION: THE CRYSTAL STRUCTURE OF HOECHST 33258 BOUND TO THE D(CGCAAATTTGCG)2 DUPLEX
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Spink, N, Brown, D.G, Skelly, J.V, Neidle, S.
Deposit date:1994-07-21
Release date:1996-12-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex.
Nucleic Acids Res., 22, 1994
5NES
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BU of 5nes by Molmil
Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa
Descriptor: 1,3-dimethylbenzene, 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, ...
Authors:Reymond, J.-L, Darbre, T, Stocker, A, Hong, W, van Delden, C, Koehler, T, Luscher, A, Visini, R, Fu, Y, Di Bonaventura, I, He, R.
Deposit date:2017-03-11
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.606 Å)
Cite:Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa.
Chem Sci, 8, 2017
5NF0
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BU of 5nf0 by Molmil
Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, CYD-TRP-TRD-LYS-LYD-LYS-LYD-LYS-TRD-TRP-CYD-GLY, ...
Authors:Reymond, J.-L, Darbre, T, Stocker, A, Hong, W, van Delden, C, Koehler, T, Luscher, A, Visini, R, Fu, Y, Di Bonaventura, I, He, R.
Deposit date:2017-03-13
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.271 Å)
Cite:Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa.
Chem Sci, 8, 2017
3P93
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BU of 3p93 by Molmil
Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate
Descriptor: 2-KETO-3-DEOXYGLUCONATE, D-MANNONIC ACID, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-15
Release date:2011-10-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM CHROMOHALOBACTER SALEXIGENS complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate
To be Published
4LNC
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BU of 4lnc by Molmil
Neutron structure of the cyclic glucose bound Xylose Isomerase E186Q mutant
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Xylose isomerase, ...
Authors:Munshi, P, Meilleur, F, Myles, D.
Deposit date:2013-07-11
Release date:2014-02-12
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (2.19 Å)
Cite:Neutron structure of the cyclic glucose-bound xylose isomerase E186Q mutant.
Acta Crystallogr.,Sect.D, 70, 2014
4EKE
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BU of 4eke by Molmil
Crystal structure of GPb in complex with DK11
Descriptor: 3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-09
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
3MS2
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BU of 3ms2 by Molmil
Glycogen phosphorylase complexed with 4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
4EL0
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BU of 4el0 by Molmil
Crystal structure of GPb in complex with DK16
Descriptor: 3-(beta-D-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3H)-one, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-10
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
3MRX
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BU of 3mrx by Molmil
Glycogen phosphorylase complexed with 4-methoxybenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
2XW9
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BU of 2xw9 by Molmil
Crystal Structure of Complement Factor D mutant S183A
Descriptor: COMPLEMENT FACTOR D, GLYCEROL
Authors:Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P.
Deposit date:2010-11-01
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation.
Science, 330, 2010
2XWA
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BU of 2xwa by Molmil
Crystal Structure of Complement Factor D Mutant R202A
Descriptor: COMPLEMENT FACTOR D, GLYCEROL
Authors:Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P.
Deposit date:2010-11-01
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation.
Science, 330, 2010
5OX3
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BU of 5ox3 by Molmil
Glycogen Phosphorylase in complex with SzB102v
Descriptor: (1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2017-09-05
Release date:2018-02-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
4IMG
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BU of 4img by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Glycolylneuraminic acid
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid, N-acetylneuraminate lyase
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
1LY4
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BU of 1ly4 by Molmil
Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase
Descriptor: 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
Deposit date:2002-06-06
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002
3L8H
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BU of 3l8h by Molmil
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from B. bronchiseptica complexed with magnesium and phosphate
Descriptor: FORMIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Nguyen, H, Peisach, E, Allen, K.N.
Deposit date:2009-12-31
Release date:2010-02-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
4HUC
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BU of 4huc by Molmil
Crystal structure of LdtMt2, a L,D-transpeptidase from Mycobacterium tuberculosis: domain B and C
Descriptor: ACETATE ION, PROBABLE CONSERVED LIPOPROTEIN LPPS, SODIUM ION
Authors:Both, D, Steiner, E, Lindqvist, Y, Schnell, R, Schneider, G.
Deposit date:2012-11-02
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of LdtMt2, an L,D-transpeptidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013

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