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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4F78
 | | Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Evdokimova, E, Minasov, G, Egorova, O, Di Leo, R, Kudritska, M, Yim, V, Meziane-Cherif, D, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-15 | | Release date: | 2012-05-23 | | Last modified: | 2014-05-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1GIC
 | | CONCANAVALIN A COMPLEXED WITH METHYL ALPHA-D-GLUCOPYRANOSIDE | | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION, ... | | Authors: | Bradbrook, G.M, Gleichmann, T, Harrop, S.J, Helliwell, J.R, Habash, J, Kalb(Gilboa), A.J, Tong, L, Wan, T.C.M, Yariv, J. | | Deposit date: | 1996-08-08 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure solution of a cubic crystal of concanavalin A complexed with methyl alpha-D-glucopyranoside.
Acta Crystallogr.,Sect.D, 52, 1996
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4OC6
 | | Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ... | | Authors: | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | | Deposit date: | 2014-01-08 | | Release date: | 2014-08-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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3E81
 | | Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily | | Descriptor: | 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2008-08-19 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.629 Å) | | Cite: | Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
J.Biol.Chem., 284, 2009
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3MTA
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3MT9
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5TOL
 | | CRYSTAL STRUCTURE OF BETA-SITE APP-CLEAVING ENZYME 1 COMPLEXED WITH N-(3-((4AS,7AS)-2-AMINO-4,4A,5,6-TETRAHYDRO-7AH-FURO[2,3-D][1,3]THIAZIN-7A-YL)-4-FLUOROPHENYL)-5-BROMO-2-PYRIDINECARBOXAMIDE | | Descriptor: | Beta-secretase 1, N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2016-10-18 | | Release date: | 2016-11-23 | | Last modified: | 2016-12-07 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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3MQF
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3MRT
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3MSC
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3ZNN
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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3ZNP
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 3-HYDROXY-2H-CHROMEN-2-ONE, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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3ZNQ
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 3-PHENETHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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3ZNO
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | Descriptor: | 4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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1GYM
 | | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C IN COMPLEX WITH GLUCOSAMINE-(ALPHA-1-6)-MYO-INOSITOL | | Descriptor: | (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C | | Authors: | Heinz, D.W, Ryan, M, Smith, M.P, Weaver, L.H, Keana, J.F.W, Griffith, O.H. | | Deposit date: | 1996-05-02 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of phosphatidylinositol-specific phospholipase C from Bacillus cereus in complex with glucosaminyl(alpha 1-->6)-D-myo-inositol, an essential fragment of GPI anchors.
Biochemistry, 35, 1996
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1H48
 | | The structure of 2C-Methyl-D-erythritol 2,4-cyclodiphosphate synthase in complex with CMP and product | | Descriptor: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N. | | Deposit date: | 2003-02-24 | | Release date: | 2004-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods
Acta Crystallogr.,Sect.D, 61, 2005
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482D
 | | RELEASE OF THE CYANO MOIETY IN THE CRYSTAL STRUCTURE OF N-CYANOMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN COMPLEXED WITH D(CGATCG) | | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*G)-3', N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN | | Authors: | Saminadin, P, Dautant, A, Mondon, M, Langlois D'Estaintot, B, Courseille, C, Precigoux, G. | | Deposit date: | 1999-07-27 | | Release date: | 1999-09-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Release of the cyano moiety in the crystal structure of N-cyanomethyl-N-(2-methoxyethyl)-daunomycin complexed with d(CGATCG).
Eur.J.Biochem., 267, 2000
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4NAP
 | | Crystal structure of a trap periplasmic solute binding protein from Desulfovibrio alaskensis G20 (DDE_0634), target EFI-510102, with bound d-tryptophan | | Descriptor: | D-TRYPTOPHAN, Extracellular solute-binding protein, family 7 | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-10-22 | | Release date: | 2013-11-13 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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6IYV
 | | Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ertapenem adduct | | Descriptor: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhao, F, Li, D.F, Wang, D.C. | | Deposit date: | 2018-12-17 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 1-beta-methyl group confers a lower affinity of l,d-transpeptidase LdtMt2for ertapenem than for imipenem.
Biochem. Biophys. Res. Commun., 510, 2019
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4ARY
 | | Lepidopteran-specific toxin Cry1Ac in complex with receptor specificity determinant GalNAc | | Descriptor: | 1,3-DIAMINOPROPANE, 2-acetamido-2-deoxy-beta-D-galactopyranose, PESTICIDAL CRYSTAL PROTEIN CRY1AC | | Authors: | Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J. | | Deposit date: | 2012-04-27 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
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3MS7
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1R33
 | | Golgi alpha-mannosidase II complex with 5-thio-D-mannopyranosylamine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-thio-alpha-D-mannopyranosylamine, ... | | Authors: | Kuntz, D.A, Xin, W, Kavelekar, L.M, Rose, D.R, Pinto, B.M. | | Deposit date: | 2003-09-30 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 5-Thio-d-glycopyranosylamines and their amidinium salts as potential transition-state mimics of glycosyl hydrolases: synthesis, enzyme inhibitory activities, X-ray crystallography, and molecular modeling
TETRAHEDRON ASYMMETRY, 16, 2005
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1R34
 | | Golgi alpha-mannosidase II complex with 5-thio-D-mannopyranosylamidinium salt | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine, ... | | Authors: | Kuntz, D.A, Xin, W, Kavelekar, L.M, Rose, D.R, Pinto, B.M. | | Deposit date: | 2003-09-30 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 5-Thio-d-glycopyranosylamines and their amidinium salts as potential transition-state mimics of glycosyl hydrolases: synthesis, enzyme inhibitory activities, X-ray crystallography, and molecular modeling
TETRAHEDRON ASYMMETRY, 16, 2005
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1UNM
 | | Crystal structure of 7-Aminoactinomycin D with non-complementary DNA | | Descriptor: | 5'-D(*TP*TP*AP*GP*BRU*TP)-3', 7-AMINOACTINOMYCIN D | | Authors: | Alexopoulos, E.C, Klement, R, Jares-Erijman, E.A, Uson, I, Jovin, T.M, Sheldrick, G.M. | | Deposit date: | 2003-09-11 | | Release date: | 2004-09-24 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal and Solution Structures of 7-Amino-Actinomycin D Complexes with D(Ttagbrut), D(Ttagtt) and D(Tttagttt)
Acta Crystallogr.,Sect.D, 61, 2005
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