4GMI
 
 | | BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571 | | Descriptor: | (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, Beta-secretase 1, ... | | Authors: | Lindberg, J.D, Derbyshire, D. | | Deposit date: | 2012-08-16 | | Release date: | 2013-09-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of novel BACE-1 inhibitors
To be Published
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3F1R
 | | Crystal structure of FGF20 dimer | | Descriptor: | Fibroblast growth factor 20, SULFATE ION | | Authors: | Kalinina, J, Mohammadi, M. | | Deposit date: | 2008-10-28 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Homodimerization controls the fibroblast growth factor 9 subfamily's receptor binding and heparan sulfate-dependent diffusion in the extracellular matrix
Mol.Cell.Biol., 29, 2009
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4H1G
 | | Structure of Candida albicans Kar3 motor domain fused to maltose-binding protein | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Allingham, J.A, Duan, D, Delorme, C, Joshi, M. | | Deposit date: | 2012-09-10 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the Candida albicans Kar3 kinesin motor domain fused to maltose-binding protein.
Biochem.Biophys.Res.Commun., 428, 2012
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3DM6
 | | Beta-secretase 1 complexed with statine-based inhibitor | | Descriptor: | 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid, Beta-secretase 1, ISOPROPYL ALCOHOL | | Authors: | Lindberg, J, Borkakoti, N, Nystrom, S. | | Deposit date: | 2008-06-30 | | Release date: | 2008-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues
Bioorg.Med.Chem., 16, 2008
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3Q8J
 | | Crystal Structure of Asteropsin A from Marine Sponge Asteropus sp. | | Descriptor: | Asteropsin A, METHANOL | | Authors: | Bowling, J.J, Fronczek, F.R, Hamann, M.T, Li, H, Jung, J.H. | | Deposit date: | 2011-01-06 | | Release date: | 2012-04-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (0.87 Å) | | Cite: | An Uncommon Crystal Structure of a Marine Knottin Peptide from Asteropus sp.
To be published
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4DPI
 | | BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | | Descriptor: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-07-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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4DPF
 | | BACE-1 in complex with a HEA-macrocyclic type inhibitor | | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-07-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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2R2M
 | | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors | | Descriptor: | Hirudin-3A, N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | | Authors: | Spurlino, J. | | Deposit date: | 2007-08-27 | | Release date: | 2008-08-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
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1DEM
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2RDL
 | | Hamster Chymase 2 | | Descriptor: | Chymase 2, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION | | Authors: | Spurlino, J, Abad, M, Kervinen, J. | | Deposit date: | 2007-09-24 | | Release date: | 2007-10-30 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for elastolytic substrate specificity in rodent alpha-chymases.
J.Biol.Chem., 283, 2008
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2MXO
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2MZW
 | | Staphylococcus aureus FusB:EF-GC3 complex | | Descriptor: | Elongation factor G, Far1, ZINC ION | | Authors: | Tomlinson, J.H, Thompson, G.S, Kalverda, A.P, Zhuravleva, A, O'Neill, A. | | Deposit date: | 2015-02-25 | | Release date: | 2016-01-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A target-protection mechanism of antibiotic resistance at atomic resolution: insights into FusB-type fusidic acid resistance.
Sci Rep, 6, 2016
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2O0A
 | | The structure of the C-terminal domain of Vik1 has a motor domain fold but lacks a nucleotide-binding site. | | Descriptor: | 1,2-ETHANEDIOL, S.cerevisiae chromosome XVI reading frame ORF YPL253c | | Authors: | Allingham, J.S, Sproul, L.R, Rayment, I, Gilbert, S.P. | | Deposit date: | 2006-11-27 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Vik1 modulates microtubule-Kar3 interactions through a motor domain that lacks an active site.
Cell(Cambridge,Mass.), 128, 2007
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1FCT
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1G35
 | | CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024 | | Descriptor: | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE | | Authors: | Lindberg, J, Unge, T. | | Deposit date: | 2000-10-23 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
J.Med.Chem., 44, 2001
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1G2K
 | | HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047 | | Descriptor: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN | | Authors: | Lindberg, J, Unge, T. | | Deposit date: | 2000-10-20 | | Release date: | 2001-06-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
J.Med.Chem., 44, 2001
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1ANF
 | | MALTODEXTRIN BINDING PROTEIN WITH BOUND MALTOSE | | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Spurlino, J.C, Quiocho, F.A. | | Deposit date: | 1997-06-25 | | Release date: | 1997-12-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor.
Structure, 5, 1997
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1Q9J
 | | Structure of polyketide synthase associated protein 5 from Mycobacterium tuberculosis | | Descriptor: | Polyketide synthase associated protein 5 | | Authors: | Buglino, J, Onwueme, K.C, Quadri, L.E, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2003-08-25 | | Release date: | 2004-05-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of PapA5, a Phthiocerol Dimycocerosyl Transferase from Mycobacterium tuberculosis
J.Biol.Chem., 279, 2004
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1Q8N
 | | Solution Structure of the Malachite Green RNA Binding Aptamer | | Descriptor: | MALACHITE GREEN, RNA Aptamer | | Authors: | Flinders, J, DeFina, S.C, Brackett, D.M, Baugh, C, Wilson, C, Dieckmann, T. | | Deposit date: | 2003-08-21 | | Release date: | 2004-03-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex.
Chembiochem, 5, 2004
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1HFC
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1DBY
 | | NMR STRUCTURES OF CHLOROPLAST THIOREDOXIN M CH2 FROM THE GREEN ALGA CHLAMYDOMONAS REINHARDTII | | Descriptor: | CHLOROPLAST THIOREDOXIN M CH2 | | Authors: | Lancelin, J.-M, Guilhaudis, L, Krimm, I, Blackledge, M.J, Marion, D. | | Deposit date: | 1999-11-03 | | Release date: | 1999-11-08 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thioredoxin m from the green alga Chlamydomonas reinhardtii.
Proteins, 41, 2000
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1DEN
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2MT7
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2MQF
 | | NMR structure of spider toxin-TRTX-Hhn2b | | Descriptor: | Mu-theraphotoxin-Hhn2b | | Authors: | Klint, J.K, Chin, Y.K.Y, Mobli, M. | | Deposit date: | 2014-06-19 | | Release date: | 2015-07-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Rational Engineering Defines a Molecular Switch That Is Essential for Activity of Spider-Venom Peptides against the Analgesics Target NaV1.7
Mol.Pharmacol., 88, 2015
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2MPQ
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