1L5R
 
 | | Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | | Deposit date: | 2002-03-07 | | Release date: | 2002-12-04 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
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1LMQ
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2NX1
 | | Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, 5-O-phosphono-beta-D-ribofuranose, PHOSPHOENOLPYRUVATE | | Authors: | Kona, F, Xu, X, Martin, P, Kuzmic, P, Gatti, D.L. | | Deposit date: | 2006-11-16 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Mechanistic Changes along an Engineered Path from Metallo to Nonmetallo 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthases.
Biochemistry, 46, 2007
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1PFQ
 | | crystal structure of human apo dipeptidyl peptidase IV / CD26 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV soluble form | | Authors: | Oefner, C, D'Arcy, A, Mac Sweeney, A, Pierau, S, Gardiner, R, Dale, G.E. | | Deposit date: | 2003-05-27 | | Release date: | 2003-07-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution structure of human apo dipeptidyl peptidase IV/CD26 and its complex with 1-[([2-[(5-iodopyridin-2-yl)amino]-ethyl]amino)-acetyl]-2-cyano-(S)-pyrrolidine.
Acta Crystallogr.,Sect.D, 59, 2003
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1L5S
 | | Human liver glycogen phosphorylase complexed with uric acid, N-Acetyl-beta-D-glucopyranosylamine, and CP-403,700 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Glycogen phosphorylase, liver form, ... | | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | | Deposit date: | 2002-03-07 | | Release date: | 2002-12-04 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
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1L5Q
 | | Human liver glycogen phosphorylase a complexed with caffeine, N-Acetyl-beta-D-glucopyranosylamine, and CP-403700 | | Descriptor: | CAFFEINE, Glycogen phosphorylase, liver form, ... | | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | | Deposit date: | 2002-03-07 | | Release date: | 2002-12-04 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
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3AL1
 | | DESIGNED PEPTIDE ALPHA-1, RACEMIC P1BAR FORM | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOLAMINE, PROTEIN (D, ... | | Authors: | Patterson, W.R, Anderson, D.H, Degrado, W.F, Cascio, D, Eisenberg, D. | | Deposit date: | 1998-10-26 | | Release date: | 1998-11-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (0.75 Å) | | Cite: | Centrosymmetric bilayers in the 0.75 A resolution structure of a designed alpha-helical peptide, D,L-Alpha-1.
Protein Sci., 8, 1999
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1K54
 | | OXA-10 class D beta-lactamase partially acylated with reacted 6beta-(1-hydroxy-1-methylethyl) penicillanic acid | | Descriptor: | (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, Beta lactamase OXA-10, ... | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-07 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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2R4B
 | | ErbB4 kinase domain complexed with a thienopyrimidine inhibitor | | Descriptor: | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine, Receptor tyrosine-protein kinase erbB-4 | | Authors: | Shewchuk, L.M, Uehling, D.E. | | Deposit date: | 2007-08-31 | | Release date: | 2008-03-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 6-Ethynylthieno[3,2-d]- and 6-ethynylthieno[2,3-d]pyrimidin-4-anilines as tunable covalent modifiers of ErbB kinases.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3RGT
 | | Crystal structure of d-mannonate dehydratase from Chromohalobacter salexigens complexed with D-Arabinohydroxamate | | Descriptor: | (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide, COBALT (II) ION, D-mannonate dehydratase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-04-09 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of d-mannonate dehydratase from Chromohalobacter salexigens complexed with d-arabinohydroxamate
To be Published
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289D
 | | TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | | Descriptor: | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN, DNA (5'-R(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S. | | Deposit date: | 1996-10-10 | | Release date: | 1996-12-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem., 39, 1996
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3WQD
 | | D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23 complexed with D-erythro-3-hydroxyaspartate | | Descriptor: | (3S)-3-hydroxy-D-aspartic acid, D-threo-3-hydroxyaspartate dehydratase, MAGNESIUM ION, ... | | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | | Deposit date: | 2014-01-25 | | Release date: | 2015-01-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate
Appl.Microbiol.Biotechnol., 99, 2015
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1K57
 | | OXA 10 class D beta-lactamase at pH 6.0 | | Descriptor: | BETA LACTAMASE OXA-10, SULFATE ION | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1K56
 | | OXA 10 class D beta-lactamase at pH 6.5 | | Descriptor: | OXA10 beta-lactamase, SULFATE ION | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1IGB
 | | AEROMONAS PROTEOLYTICA AMINOPEPTIDASE COMPLEXED WITH THE INHIBITOR PARA-IODO-D-PHENYLALANINE HYDROXAMATE | | Descriptor: | AMINOPEPTIDASE, PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID, ZINC ION | | Authors: | Chevrier, B, D'Orchymont, H, Schalk, C, Tarnus, C, Moras, D. | | Deposit date: | 1996-02-27 | | Release date: | 1996-08-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of the Aeromonas proteolytica aminopeptidase complexed with a hydroxamate inhibitor. Involvement in catalysis of Glu151 and two zinc ions of the co-catalytic unit.
Eur.J.Biochem., 237, 1996
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3RAS
 | | Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | | Authors: | Diao, J, Deng, L, Prasad, B.V.V, Song, Y. | | Deposit date: | 2011-03-28 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies.
J.Med.Chem., 54, 2011
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1G2W
 | | E177S MUTANT OF THE PYRIDOXAL-5'-PHOSPHATE ENZYME D-AMINO ACID AMINOTRANSFERASE | | Descriptor: | ACETATE ION, D-ALANINE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Lepore, B.W, Ringe, D. | | Deposit date: | 2000-10-21 | | Release date: | 2000-11-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on an Active Site Residue, E177, That Affects Binding of the Coenzyme in D-Amino Acid Transaminase, and Mechanistic Studies on a Suicide Substrate
Biochemistry and Molecular Biology of Vitamin B6 and PQQ-dependent Proteins, 10th Annual International Symposium on Vitamin B6, 2000
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1E56
 | | Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the natural substrate DIMBOA-beta-D-glucoside | | Descriptor: | 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, BETA-GLUCOSIDASE, beta-D-glucopyranose | | Authors: | Czjzek, M, Cicek, M, Bevan, D.R, Zamboni, V, Henrissat, B, Esen, A. | | Deposit date: | 2000-07-18 | | Release date: | 2000-12-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Mechanism of Substrate (Aglycone) Specificity in Beta -Glucosidases is Revealed by Crystal Structures of Mutant Maize Beta -Glucosidase- Dimboa, -Dimboaglc, and -Dhurrin Complexes
Proc.Natl.Acad.Sci.USA, 97, 2000
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2DWU
 | | Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis | | Descriptor: | D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ... | | Authors: | Mehboob, S, Santarsiero, B.D, Johnson, M.E. | | Deposit date: | 2006-08-17 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design
J.Mol.Biol., 371, 2007
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2VA9
 | | Structure of native TcAChE after a 9 seconds annealing to room temperature during the first 5 seconds of which laser irradiation at 266nm took place | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography
Acta Crystallogr.,Sect.D, 63, 2007
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2HW1
 | | Crystal structure of human ketohexokinase complexed to different sugar molecules | | Descriptor: | GLYCEROL, Ketohexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Trinh, C.H, Asipu, A, Bonthron, D.T, Phillips, S.E.V. | | Deposit date: | 2006-07-31 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of alternatively spliced isoforms of human ketohexokinase.
Acta Crystallogr.,Sect.D, 65, 2009
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3TJW
 | | Crystal Structure of Quasiracemic Villin Headpiece Subdomain Containing (F5Phe10) Substitution | | Descriptor: | D-Villin-1, L-Villin-1, SULFATE ION | | Authors: | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | | Deposit date: | 2011-08-25 | | Release date: | 2012-01-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
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4E84
 | | Crystal Structure of Burkholderia cenocepacia HldA | | Descriptor: | 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose, 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, ... | | Authors: | Lee, T.-W, Junop, M.S. | | Deposit date: | 2012-03-19 | | Release date: | 2012-12-26 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
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1QDA
 | | Crystal structure of epidoxorubicin-formaldehyde virtual crosslink of DNA | | Descriptor: | 4'-EPIDOXORUBICIN, 5' -D(CP*GP*CP*(G49)P*CP*GP)-3' | | Authors: | Podell, E.R, Harrington, D.J, Taatjes, D.J, Koch, T.H. | | Deposit date: | 1999-05-17 | | Release date: | 1999-09-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of epidoxorubicin-formaldehyde virtual crosslink of DNA and evidence for its formation in human breast-cancer cells.
Acta Crystallogr.,Sect.D, 55, 1999
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1DIC
 | | STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D | | Descriptor: | 3,4-DICHLOROISOCOUMARIN, FACTOR D, OXYGEN ATOM | | Authors: | Cole, L.B, Kilpatrick, J.M, Chu, N, Babu, Y.S. | | Deposit date: | 1998-07-08 | | Release date: | 1999-07-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of 3,4-dichloroisocoumarin-inhibited factor D.
Acta Crystallogr.,Sect.D, 54, 1998
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