4FGX
 
 | | Crystal structure of bace1 with novel inhibitor | | Descriptor: | Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ... | | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | | Deposit date: | 2012-06-05 | | Release date: | 2013-01-16 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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3OAU
 | | Antibody 2G12 Recognizes Di-Mannose Equivalently in Domain- and Non-Domain-Exchanged Forms, but only binds the HIV-1 Glycan Shield if Domain-Exchanged | | Descriptor: | Fab 2G12, heavy chain, light chain, ... | | Authors: | Doores, K.J, Fulton, Z, Huber, M, Wilson, I.A, Burton, D.R. | | Deposit date: | 2010-08-05 | | Release date: | 2011-01-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antibody 2G12 recognizes di-mannose equivalently in domain- and nondomain-exchanged forms but only binds the HIV-1 glycan shield if domain exchanged.
J.Virol., 84, 2010
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4GIJ
 | | Crystal Structure of Pseudouridine Monophosphate Glycosidase Complexed with Sulfate | | Descriptor: | MANGANESE (II) ION, Pseudouridine-5'-phosphate glycosidase, SULFATE ION | | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
Biochemistry, 51, 2012
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4GFI
 | | Crystal structure of EFI-502318, an enolase family member from Agrobacterium tumefaciens with homology to dipeptide epimerases (bound sodium, L-Ala-L-Glu with ordered loop) | | Descriptor: | ALANINE, CHLORIDE ION, GLUTAMIC ACID, ... | | Authors: | Vetting, M.W, Bouvier, J.T, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-08-03 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of EFI-502318, an enolase family member from Agrobacterium tumefaciens with homology to dipeptide epimerases (bound sodium, l-ala-l-glu with ordered loop)
To be Published
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3OAC
 | | Mint deletion mutant of heterotetrameric geranyl pyrophosphate synthase in complex with ligands | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Geranyl diphosphate synthase large subunit, ... | | Authors: | Hsieh, F.-L, Chang, T.-H, Ko, T.-P, Wang, A.H.-J. | | Deposit date: | 2010-08-05 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Enhanced specificity of mint geranyl pyrophosphate synthase by modifying the R-loop interactions
J.Mol.Biol., 404, 2010
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4GKJ
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human mitochondrial anticodon stem loop (ASL) of transfer RNA Methionine (TRNAMET) bound to an mRNA with an AUG-codon in the A-site and paromomycin. | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Cantara, W.A, Murphy IV, F.V, Spears, J.L, Demirci, H, Agris, P.F. | | Deposit date: | 2012-08-11 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.298 Å) | | Cite: | Expanded use of sense codons is regulated by modified cytidines in tRNA.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1YNT
 | | Structure of the monomeric form of T. gondii SAG1 surface antigen bound to a human Fab | | Descriptor: | 4F11E12 Fab variable heavy chain region, 4F11E12 Fab variable light chain region, CADMIUM ION, ... | | Authors: | Graille, M, Stura, E.A, Bossus, M, Muller, B.H, Letourneur, O, Battail-Poirot, N, Sibai, G, Rolland, D, Le Du, M.H, Ducancel, F. | | Deposit date: | 2005-01-25 | | Release date: | 2005-12-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of the complex between the monomeric form of Toxoplasma gondii surface antigen 1 (SAG1) and a monoclonal antibody that mimics the human immune response
J.Mol.Biol., 354, 2005
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3OB0
 | | A non-self sugar mimic of the HIV glycan shield shows enhanced antigenicity | | Descriptor: | 7-deoxy-L-glycero-alpha-D-manno-heptopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose, Fab 2G12, heavy chain, ... | | Authors: | Doores, K.J, Fulton, Z, Hong, V, Patel, M.K, Scanlan, C.N, Wormald, M.R, Finn, M.G, Burton, D.R, Wilson, I.A, Davis, B.G. | | Deposit date: | 2010-08-06 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4GDY
 | | Kynurenine Aminotransferase II inhibitors | | Descriptor: | (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics
MEDCHEMCOMM, 2012
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4GE9
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
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4GIM
 | | Crystal Structure of Pseudouridine Monophosphate Glycosidase Complexed with Pseudouridine 5'-phosphate | | Descriptor: | MANGANESE (II) ION, PSEUDOURIDINE-5'-MONOPHOSPHATE, Pseudouridine-5'-phosphate glycosidase | | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
Biochemistry, 51, 2012
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1YQF
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1YQC
 | | Crystal Structure of Ureidoglycolate Hydrolase (AllA) from Escherichia coli O157:H7 | | Descriptor: | GLYOXYLIC ACID, Ureidoglycolate hydrolase | | Authors: | Raymond, S, Tocilj, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2005-02-01 | | Release date: | 2005-10-18 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.709 Å) | | Cite: | Crystal structure of ureidoglycolate hydrolase (AllA) from Escherichia coli O157:H7
Proteins, 61, 2005
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4GJF
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3OGQ
 | | Crystal Structure of 6s-98S FIV Protease with Lopinavir bound | | Descriptor: | DIMETHYL SULFOXIDE, FIV protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE | | Authors: | Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D. | | Deposit date: | 2010-08-17 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.
Acta Crystallogr.,Sect.D, 67, 2011
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4GKR
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3OCR
 | | Crystal structure of aldolase II superfamily protein from Pseudomonas syringae | | Descriptor: | Class II aldolase/adducin domain protein, SULFATE ION | | Authors: | Chang, C, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-08-10 | | Release date: | 2010-08-25 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of aldolase II superfamily protein from Pseudomonas syringae
To be Published
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3OH8
 | | Crystal structure of the nucleoside-diphosphate sugar epimerase from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR91 | | Descriptor: | Nucleoside-diphosphate sugar epimerase (SulA family) | | Authors: | Vorobiev, S, Lew, S, Kuzin, A, Mao, M, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-08-17 | | Release date: | 2010-09-01 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Crystal structure of the nucleoside-diphosphate sugar epimerase from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR91.
To be Published
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4GIK
 | | Crystal Structure of Pseudouridine Monophosphate Glycosidase/Linear R5P Adduct | | Descriptor: | MANGANESE (II) ION, Pseudouridine-5'-phosphate glycosidase, RIBOSE-5-PHOSPHATE | | Authors: | Huang, S, Mahanta, N, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Pseudouridine monophosphate glycosidase: a new glycosidase mechanism.
Biochemistry, 51, 2012
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4GJG
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4GL0
 | | Putative spermidine/putrescine ABC transporter from Listeria monocytogenes | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lmo0810 protein, ... | | Authors: | Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-08-13 | | Release date: | 2012-08-22 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Putative spermidine/putrescine ABC transporter from Listeria monocytogenes
To be Published
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4GKK
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human mitochondrial anticodon stem loop (ASL) of transfer RNA Methionine (TRNAMET) bound to an mRNA with an AUA-codon in the A-site and paromomycin | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Cantara, W.A, Murphy IV, F.V, Spears, J.L, Demirci, H, Agris, P.F. | | Deposit date: | 2012-08-11 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Expanded use of sense codons is regulated by modified cytidines in tRNA.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4GLW
 | | DNA ligase A in complex with inhibitor | | Descriptor: | 7-methoxy-6-methylpteridine-2,4-diamine, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | | Authors: | Prade, L, Lange, R, Tidten-Luksch, N, Chambovey, A. | | Deposit date: | 2012-08-15 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.
Bioorg.Med.Chem.Lett., 22, 2012
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4GLM
 | | Crystal structure of the SH3 Domain of DNMBP protein [Homo sapiens] | | Descriptor: | Dynamin-binding protein, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Guan, X, Huang, H, Tempel, W, Gu, J, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-08-14 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the SH3 Domain of DNMBP protein [Homo sapiens]
to be published
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4GOP
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