3POS
 
 | | Crystal structure of the globular domain of human calreticulin | | Descriptor: | CALCIUM ION, Calreticulin | | Authors: | Chouquet, A, Paidassi, H, Ling, W.-L, Frachet, P, Houen, G, Arlaud, G.J, Gaboriaud, C. | | Deposit date: | 2010-11-23 | | Release date: | 2011-03-09 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | X-ray structure of the human calreticulin globular domain reveals a Peptide-binding area and suggests a multi-molecular mechanism
Plos One, 6, 2011
|
|
3ZVI
 | | Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant L384A | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J. | | Deposit date: | 2011-07-25 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids.
Nat.Chem., 4, 2012
|
|
4B3K
 | | Family 1 6-phospho-beta-D glycosidase from Streptococcus pyogenes | | Descriptor: | BETA-GLUCOSIDASE | | Authors: | Stepper, J, Dabin, J, Ekloef, J.M, Thongpoo, P, Kongsaeree, P.T, Taylor, E.J, Turkenburg, J.P, Brumer, H, Davies, G.J. | | Deposit date: | 2012-07-24 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and Activity of the Streptococcus Pyogenes Family Gh1 6-Phospho Beta-Glycosidase Spy1599
Acta Crystallogr.,Sect.D, 69, 2013
|
|
4AYQ
 | | Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with mannoimidazole | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J. | | Deposit date: | 2012-06-21 | | Release date: | 2013-01-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
2JAL
 | | Beta-glucosidase from Thermotoga maritima in complex with cyclophellitol | | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Madsen, R, Davies, G.J. | | Deposit date: | 2006-11-29 | | Release date: | 2007-01-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Cyclophellitol Inhibition of a Beta-Glucosidase.
Org.Biomol.Chem., 5, 2007
|
|
2JHI
 | | Structure of globular heads of M-ficolin complexed with N-acetyl-D- galactosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, FICOLIN-1 | | Authors: | Garlatti, V, Martin, L, Gout, E, Reiser, J.B, Arlaud, G.J, Thielens, N.M, Gaboriaud, C. | | Deposit date: | 2007-02-22 | | Release date: | 2007-10-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Innate Immune Sensing by M-Ficolin and its Control by a Ph-Dependent Conformational Switch.
J.Biol.Chem., 282, 2007
|
|
4CD8
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
2JG8
 | | Crystallographic structure of human C1q globular heads complexed to phosphatidyl-serine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1q subcomponent subunit A, ... | | Authors: | Paidassi, H, Tacnet-Delorme, P, Garlatti, V, Darnault, C, Ghebrehiwet, B, Gaboriaud, C, Arlaud, G.J, Frachet, P. | | Deposit date: | 2007-02-09 | | Release date: | 2008-02-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | C1Q Binds Phosphatidylserine and Likely Acts as a Multiligand-Bridging Molecule in Apoptotic Cell Recognition.
J.Immunol., 180, 2008
|
|
4BZS
 | | Human angiotenisn converting enzyme N-domain in complex with K-26 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Kramer, G.J, Mohd, A, Schwager, S.L.U, Masuyer, G, Acharya, K.R, Sturrock, E.D, Bachmann, B.O. | | Deposit date: | 2013-07-29 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interkingdom Pharmacology of Angiotensin-I Converting Enzyme Inhibitor Phosphonates Produced by Actinomycetes
Acs Med.Chem.Lett., 5, 2014
|
|
2JSV
 | | Dipole tensor-based refinement for atomic-resolution structure determination of a nanocrystalline protein by solid-state NMR spectroscopy | | Descriptor: | Immunoglobulin G-binding protein G | | Authors: | Franks, W, Wylie, B.J, Frericks, H.L, Nieuwkoop, A.J, Mayrhofer, R, Shah, G.J, Graesser, D.T, Rienstra, C.M. | | Deposit date: | 2007-07-16 | | Release date: | 2008-04-15 | | Last modified: | 2024-05-29 | | Method: | SOLID-STATE NMR | | Cite: | Dipole tensor-based atomic-resolution structure determination of a nanocrystalline protein by solid-state NMR
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
4CD5
 | | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4C9T
 | | BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 2.0 A RESOLUTION, SelenoMet derivative | | Descriptor: | CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thomsen, M, Palm, G.J, Hinrichs, W. | | Deposit date: | 2013-10-03 | | Release date: | 2014-10-22 | | Last modified: | 2015-04-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4CD7
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
2JG0
 | | Family 37 trehalase from Escherichia coli in complex with 1- thiatrehazolin | | Descriptor: | N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine, PERIPLASMIC TREHALASE | | Authors: | Gibson, R.P, Gloster, T.M, Roberts, S, Warren, R.A.J, Storch De Gracia, I, Garcia, A, Chiara, J.L, Davies, G.J. | | Deposit date: | 2007-02-07 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Molecular Basis for Trehalase Inhibition Revealed by the Structure of Trehalase in Complex with Potent Inhibitors.
Angew.Chem.Int.Ed.Engl., 46, 2007
|
|
4BMX
 | | Native structure of futalosine hydrolase of Helicobacter pylori strain 26695 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, MTA/SAH NUCLEOSIDASE | | Authors: | Kim, R.Q, Offen, W.A, Stubbs, K.A, Davies, G.J. | | Deposit date: | 2013-05-12 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Enzymology of Helicobacter Pylori Methylthioadenosine Nucleosidase in the Futalosine Pathway
Acta Crystallogr.,Sect.D, 70, 2014
|
|
2JJB
 | | Family 37 trehalase from Escherichia coli in complex with casuarine-6- O-alpha-glucopyranose | | Descriptor: | 1,2-ETHANEDIOL, CASUARINE, PERIPLASMIC TREHALASE, ... | | Authors: | Gloster, T.M, Roberts, S, Davies, G.J, Cardona, F, Parmeggiani, C, Bonaccini, C, Gratteri, P, Sim, L, Rose, D.R, Goti, A. | | Deposit date: | 2008-03-28 | | Release date: | 2009-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Total Syntheses of Casuarine and its 6-O-Alpha-Glucoside: Complementary Inhibition Towards Glycoside Hydrolases of the Gh31 and Gh37 Families.
Chemistry, 15, 2009
|
|
4C1S
 | | Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE | | Authors: | Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J. | | Deposit date: | 2013-08-13 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
|
|
4CD4
 | | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4CD6
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4BZR
 | | Human testis angiotensin converting enzyme in complex with K-26 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | | Authors: | Kramer, G.J, Mohd, A, Schwager, S.L.U, Masuyer, G, Acharya, K.R, Sturrock, E.D, Bachmann, B.O. | | Deposit date: | 2013-07-29 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Interkingdom Pharmacology of Angiotensin-I Converting Enzyme Inhibitor Phosphonates Produced by Actinomycetes
Acs Med.Chem.Lett., 5, 2014
|
|
2GLK
 | | High-resolution study of D-Xylose isomerase, 0.94A resolution. | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Xylose isomerase | | Authors: | Katz, A.K, Carrell, H.L, Hanson, B.L, Harp, J.M, Glusker, J.P, Bunick, G.J. | | Deposit date: | 2006-04-05 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
3PEO
 | | Crystal structure of acetylcholine binding protein complexed with metocurine | | Descriptor: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium, Soluble acetylcholine receptor | | Authors: | Talley, T.T, Harel, M, Yamauchi, G.J, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | | Deposit date: | 2010-10-27 | | Release date: | 2011-10-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The curare alkaloids: analyzing the poses of complexes with the acetylcholine binding protein in relation to structure and binding energetics
To be Published
|
|
3QKU
 | | Mre11 Rad50 binding domain in complex with Rad50 and AMP-PNP | | Descriptor: | DNA double-strand break repair protein mre11, DNA double-strand break repair rad50 ATPase, MAGNESIUM ION, ... | | Authors: | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | | Deposit date: | 2011-02-01 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair.
Nat.Struct.Mol.Biol., 18, 2011
|
|
3QKS
 | | Mre11 Rad50 binding domain bound to Rad50 | | Descriptor: | DNA double-strand break repair protein mre11, DNA double-strand break repair rad50 ATPase | | Authors: | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | | Deposit date: | 2011-02-01 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair.
Nat.Struct.Mol.Biol., 18, 2011
|
|
2JKP
 | | Structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron in complex with castanospermine | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB), CALCIUM ION, ... | | Authors: | Gloster, T.M, Turkenburg, J.P, Potts, J.R, Henrissat, B, Davies, G.J. | | Deposit date: | 2008-08-29 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora.
Chem.Biol., 15, 2008
|
|
