7PSI
 
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor ME727 | | Descriptor: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase, SULFATE ION | | Authors: | Armstrong, Z, Wu, L, Davies, G.J. | | Deposit date: | 2021-09-23 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7PSH
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7PSJ
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VL166 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | | Authors: | Armstrong, Z, Wu, L, Davies, G.J. | | Deposit date: | 2021-09-23 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7PR6
 | | Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727 | | Descriptor: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | | Authors: | Wu, L, Armstrong, Z, Davies, G.J. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7PR9
 | | Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor VL166 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein | | Authors: | Wu, L, Armstrong, Z, Davies, G.J. | | Deposit date: | 2021-09-21 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7PLS
 | | Cryo-EM structures of human fucosidase FucA1 reveal insight into substate recognition and catalysis. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tissue alpha-L-fucosidase | | Authors: | Armstrong, Z, Meek, R.W, Wu, L, Blaza, J.N, Davies, G.J. | | Deposit date: | 2021-09-01 | | Release date: | 2022-08-10 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryo-EM structures of human fucosidase FucA1 reveal insight into substrate recognition and catalysis.
Structure, 30, 2022
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7PM4
 | | Cryo-EM structures of human fucosidase FucA1 reveal insight into substate recognition and catalysis. | | Descriptor: | (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tissue alpha-L-fucosidase | | Authors: | Armstrong, Z, Meek, R.W, Wu, L, Blaza, J.N, Davies, G.J. | | Deposit date: | 2021-09-01 | | Release date: | 2022-08-10 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryo-EM structures of human fucosidase FucA1 reveal insight into substrate recognition and catalysis.
Structure, 30, 2022
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4IDL
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4II7
 | | Archaellum Assembly ATPase FlaI | | Descriptor: | FlaI ATPase | | Authors: | Reindl, S, Williams, G.J, Tainer, J.A. | | Deposit date: | 2012-12-20 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Insights into FlaI Functions in Archaeal Motor Assembly and Motility from Structures, Conformations, and Genetics.
Mol.Cell, 49, 2013
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4IHQ
 | | Archaellum Assembly ATPase FlaI bound to ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FlaI ATPase, ... | | Authors: | Reindl, S, Williams, G.J, Tainer, J.A. | | Deposit date: | 2012-12-19 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into FlaI Functions in Archaeal Motor Assembly and Motility from Structures, Conformations, and Genetics.
Mol.Cell, 49, 2013
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7QE9
 | | Human cationic trypsin (TRY1) complexed with serine protease inhibitor Kazal type 1 N34S (SPINK1 N34S) | | Descriptor: | SULFATE ION, Serine protease inhibitor Kazal-type 1, Trypsin-1 | | Authors: | Nagel, F, Palm, G.J, Delcea, M, Lammers, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin.
Int J Mol Sci, 23, 2022
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7QE8
 | | Human cationic trypsin (TRY1) complexed with serine protease inhibitor Kazal type 1 (SPINK1) | | Descriptor: | SULFATE ION, Serine protease inhibitor Kazal-type 1, Trypsin-1 | | Authors: | Nagel, F, Palm, G.J, Delcea, M, Lammers, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin.
Int J Mol Sci, 23, 2022
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7QHV
 | | Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol | | Descriptor: | GLYCINE, Sulfoquinovosyl binding protein, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Authors: | Snow, A, Davies, G.J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
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6VJF
 | | The P-Loop K to A mutation of C. therm Vps1 GTPase-BSE | | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Putative sorting protein Vps1 | | Authors: | Tornabene, B.A, Varlakhanova, N.V, Chappie, J.S, Ford, M.G.J. | | Deposit date: | 2020-01-15 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | Structural and functional characterization of the dominant negative P-loop lysine mutation in the dynamin superfamily protein Vps1.
Protein Sci., 29, 2020
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7QQG
 | | Crystal structure of MYORG bound to 1-deoxygalactonojirimycin | | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Meek, R.W, Davies, G.J. | | Deposit date: | 2022-01-07 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
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7QQF
 | | Crystal structure of unliganded MYORG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Meek, R.W, Davies, G.J. | | Deposit date: | 2022-01-07 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
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7QQH
 | | Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Meek, R.W, Davies, G.J. | | Deposit date: | 2022-01-07 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
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6W3I
 | | Crystal structure of a FAM46C mutant in complex with Plk4 | | Descriptor: | Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C | | Authors: | Chen, H, Shang, G.J, Lu, D.F, Zhang, X.W. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.802 Å) | | Cite: | Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
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4JFV
 | | Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol | | Descriptor: | (3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene, IMIDAZOLE, SULFATE ION, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
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4J75
 | | Crystal Structure of a parasite tRNA synthetase, product-bound | | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-02-12 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
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4J76
 | | Crystal Structure of a parasite tRNA synthetase, ligand-free | | Descriptor: | GLYCEROL, Tryptophanyl-tRNA synthetase | | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-02-12 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
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6W6Q
 | | WT HTLV-1 Protease in Complex with Darunavir (DRV) | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HTLV-1 Protease | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2020-03-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | To Be Determined
To Be Published
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6W6T
 | | WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6) | | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2020-03-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | To Be Determined
To Be Published
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6W6R
 | | WT HTLV-1 Protease in Complex with UMass6 (UM6) | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, HTLV-1 Protease | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2020-03-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | To Be Determined
To Be Published
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6W6S
 | | WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6) | | Descriptor: | HTLV-1 Protease, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2020-03-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | To Be Determined
To Be Published
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