5CI5
 
 | | Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose | | Descriptor: | 1,2-ETHANEDIOL, Extracellular solute-binding protein family 1, PENTAETHYLENE GLYCOL, ... | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-07-11 | | Release date: | 2015-07-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose
To be published
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3NZB
 | | Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Potent 5-(omega-carboxyl(alkyloxy)pyrido[2,-d]pyrimidine Derivatives | | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate | | Authors: | Cody, V. | | Deposit date: | 2010-07-16 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural analysis of Pneumocystis carinii and human DHFR complexes with
NADPH and a series of five potent
6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives
Acta Crystallogr.,Sect.D, 67, 2011
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3G2K
 | | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole | | Descriptor: | 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form | | Authors: | 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. | | Deposit date: | 2009-01-31 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
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2QLN
 | | Glycogen Phosphorylase b in complex with N-4-phenylbenzoyl-N'-beta-D-glucopyranosyl urea | | Descriptor: | Glycogen phosphorylase, muscle form, N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine | | Authors: | Oikonomakos, N.G, Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Leonidas, D.D, Sographos, S.E. | | Deposit date: | 2007-07-13 | | Release date: | 2008-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation
To be Published
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431D
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5CKS
 | | DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase in complex with DAHP Oxime. | | Descriptor: | DAHP Oxime, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive, ... | | Authors: | Berti, P, Junop, M, Balachandran, N. | | Deposit date: | 2015-07-15 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1181 Å) | | Cite: | Potent Inhibition of 3-Deoxy-d-arabinoheptulosonate-7-phosphate (DAHP) Synthase by DAHP Oxime, a Phosphate Group Mimic.
Biochemistry, 55, 2016
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5NRI
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1D65
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1LUH
 | | SOLUTION NMR STRUCTURE OF SELF-COMPLIMENTARY DUPLEX 5'-D(TCCG*CGGA)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE N2 POSITION OF G* | | Descriptor: | 5'-D(*TP*CP*CP*(TME)GP*CP*GP*GP*A)-3', PROPANE | | Authors: | Dooley, P.D, Zhang, M, Korbel, G.A, Nechev, L.V, Harris, C.M, Stone, M.P, Harris, T.M. | | Deposit date: | 2002-05-22 | | Release date: | 2003-02-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Determination of the Conformation of a Trimethylene Interstrand Cross-Link in an Oligodeoxynucleotide Duplex Containing a 5'-d(GpC) Motif
J.AM.CHEM.SOC., 125, 2003
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3L7D
 | | Crystal Structure of Glycogen Phosphorylase DK5 complex | | Descriptor: | 1-(2,3-dideoxy-3-fluoro-beta-D-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form | | Authors: | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | | Deposit date: | 2009-12-28 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
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3L7A
 | | Crystal Structure of Glycogen Phosphorylase DK2 complex | | Descriptor: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form | | Authors: | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | | Deposit date: | 2009-12-28 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
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4O9K
 | | Crystal structure of the CBS pair of a putative D-arabinose 5-phosphate isomerase from Methylococcus capsulatus in complex with CMP-Kdo | | Descriptor: | Arabinose 5-phosphate isomerase, CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, GLYCEROL | | Authors: | Shabalin, I.G, Cooper, D.R, Shumilin, I.A, Zimmerman, M.D, Majorek, K.A, Hammonds, J, Hillerich, B.S, Nawar, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-01-02 | | Release date: | 2014-01-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure and kinetic properties of D-arabinose 5-phosphate isomerase from Methylococcus capsulatus
To be Published
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4JK5
 | | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | Deposit date: | 2013-03-09 | | Release date: | 2013-07-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
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7DZ5
 | | Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii | | Descriptor: | D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ... | | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | | Deposit date: | 2021-01-23 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
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3PXK
 | | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH Pyrrolo[2,3-d]thiazole | | Descriptor: | 6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole, PTK2 protein, SULFATE ION | | Authors: | Koolman, H, Heinrich, T, Musil, D. | | Deposit date: | 2010-12-10 | | Release date: | 2011-12-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Co-crystal Structures of FAK with an Unprecedented Pyrrolo[2,3-d]thiazole
To be Published
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4AUN
 | | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-05-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
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3PH3
 | | Clostridium thermocellum Ribose-5-Phosphate Isomerase B with d-ribose | | Descriptor: | D-ribose, Ribose-5-phosphate isomerase | | Authors: | Jung, J, Kim, J.K, Yeom, S.J, Ahn, Y.J, Oh, D.K, Kang, L.W. | | Deposit date: | 2010-11-03 | | Release date: | 2011-06-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of Clostridium thermocellum ribose-5-phosphate isomerase B reveals properties critical for fast enzyme kinetics.
Appl.Microbiol.Biotechnol., 90, 2011
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1VT7
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3G2J
 | | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase | | Descriptor: | Glycogen phosphorylase, muscle form, N-(hydroxyacetyl)-beta-D-glucopyranosylamine | | Authors: | 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. | | Deposit date: | 2009-01-31 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
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3IKN
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2V3U
 | | Structure of the ligand-binding core of the ionotropic glutamate receptor-like GluRdelta2 in complex with D-serine | | Descriptor: | CHLORIDE ION, D-SERINE, GLUTAMATE RECEPTOR DELTA-2 SUBUNIT, ... | | Authors: | Naur, P, Vestergaard, B, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2007-06-22 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Ionotropic Glutamate-Like Receptor {Delta}2 Binds D-Serine and Glycine.
Proc.Natl.Acad.Sci.USA, 104, 2007
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3IKR
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5OXR
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4JK6
 | | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | Deposit date: | 2013-03-09 | | Release date: | 2013-07-17 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
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4HU2
 | | 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
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