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PDB: 2222 件
7PSI
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BU of 7psi by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor ME727
分子名称: (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase, SULFATE ION
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSH
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Crystal structure of beta-glucuronidase from Acidobacterium capsulatum at 1.24 Angstrom resolution
分子名称: Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSJ
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BU of 7psj by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VL166
分子名称: 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
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR6
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BU of 7pr6 by Molmil
Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727
分子名称: (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-20
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR9
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BU of 7pr9 by Molmil
Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor VL166
分子名称: 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
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PLS
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BU of 7pls by Molmil
Cryo-EM structures of human fucosidase FucA1 reveal insight into substate recognition and catalysis.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tissue alpha-L-fucosidase
著者Armstrong, Z, Meek, R.W, Wu, L, Blaza, J.N, Davies, G.J.
登録日2021-09-01
公開日2022-08-10
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryo-EM structures of human fucosidase FucA1 reveal insight into substrate recognition and catalysis.
Structure, 30, 2022
7PM4
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BU of 7pm4 by Molmil
Cryo-EM structures of human fucosidase FucA1 reveal insight into substate recognition and catalysis.
分子名称: (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tissue alpha-L-fucosidase
著者Armstrong, Z, Meek, R.W, Wu, L, Blaza, J.N, Davies, G.J.
登録日2021-09-01
公開日2022-08-10
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryo-EM structures of human fucosidase FucA1 reveal insight into substrate recognition and catalysis.
Structure, 30, 2022
4IDL
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BU of 4idl by Molmil
Low melting temperature Anti-Cholera Toxin Llama VHH domain
分子名称: Single Domain Antibody VHH A9
著者Legler, P.M, Lam, A, Hol, W.G.J.
登録日2012-12-12
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of a low-melting-temperature anti-cholera toxin: llama V(H)H domain.
Acta Crystallogr.,Sect.F, 69, 2013
4II7
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Archaellum Assembly ATPase FlaI
分子名称: FlaI ATPase
著者Reindl, S, Williams, G.J, Tainer, J.A.
登録日2012-12-20
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Insights into FlaI Functions in Archaeal Motor Assembly and Motility from Structures, Conformations, and Genetics.
Mol.Cell, 49, 2013
4IHQ
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BU of 4ihq by Molmil
Archaellum Assembly ATPase FlaI bound to ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FlaI ATPase, ...
著者Reindl, S, Williams, G.J, Tainer, J.A.
登録日2012-12-19
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into FlaI Functions in Archaeal Motor Assembly and Motility from Structures, Conformations, and Genetics.
Mol.Cell, 49, 2013
7QE9
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BU of 7qe9 by Molmil
Human cationic trypsin (TRY1) complexed with serine protease inhibitor Kazal type 1 N34S (SPINK1 N34S)
分子名称: SULFATE ION, Serine protease inhibitor Kazal-type 1, Trypsin-1
著者Nagel, F, Palm, G.J, Delcea, M, Lammers, M.
登録日2021-12-01
公開日2022-03-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin.
Int J Mol Sci, 23, 2022
7QE8
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BU of 7qe8 by Molmil
Human cationic trypsin (TRY1) complexed with serine protease inhibitor Kazal type 1 (SPINK1)
分子名称: SULFATE ION, Serine protease inhibitor Kazal-type 1, Trypsin-1
著者Nagel, F, Palm, G.J, Delcea, M, Lammers, M.
登録日2021-12-01
公開日2022-03-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin.
Int J Mol Sci, 23, 2022
7QHV
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BU of 7qhv by Molmil
Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol
分子名称: 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
著者Snow, A, Davies, G.J.
登録日2021-12-14
公開日2022-04-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
6VJF
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BU of 6vjf by Molmil
The P-Loop K to A mutation of C. therm Vps1 GTPase-BSE
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Putative sorting protein Vps1
著者Tornabene, B.A, Varlakhanova, N.V, Chappie, J.S, Ford, M.G.J.
登録日2020-01-15
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.472 Å)
主引用文献Structural and functional characterization of the dominant negative P-loop lysine mutation in the dynamin superfamily protein Vps1.
Protein Sci., 29, 2020
7QQG
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BU of 7qqg by Molmil
Crystal structure of MYORG bound to 1-deoxygalactonojirimycin
分子名称: (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, ...
著者Meek, R.W, Davies, G.J.
登録日2022-01-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7QQF
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Crystal structure of unliganded MYORG
分子名称: 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, ...
著者Meek, R.W, Davies, G.J.
登録日2022-01-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7QQH
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BU of 7qqh by Molmil
Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc
分子名称: 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, ...
著者Meek, R.W, Davies, G.J.
登録日2022-01-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
6W3I
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BU of 6w3i by Molmil
Crystal structure of a FAM46C mutant in complex with Plk4
分子名称: Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
著者Chen, H, Shang, G.J, Lu, D.F, Zhang, X.W.
登録日2020-03-09
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.802 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
4JFV
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BU of 4jfv by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol
分子名称: (3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene, IMIDAZOLE, SULFATE ION, ...
著者Wright, D.W, Davies, G.J.
登録日2013-02-28
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4J75
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BU of 4j75 by Molmil
Crystal Structure of a parasite tRNA synthetase, product-bound
分子名称: GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase
著者Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-02-12
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
4J76
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BU of 4j76 by Molmil
Crystal Structure of a parasite tRNA synthetase, ligand-free
分子名称: GLYCEROL, Tryptophanyl-tRNA synthetase
著者Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-02-12
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献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
6W6Q
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BU of 6w6q by Molmil
WT HTLV-1 Protease in Complex with Darunavir (DRV)
分子名称: (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
著者Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
登録日2020-03-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献To Be Determined
To Be Published
6W6T
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BU of 6w6t by Molmil
WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6)
分子名称: 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
著者Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
登録日2020-03-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献To Be Determined
To Be Published
6W6R
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BU of 6w6r by Molmil
WT HTLV-1 Protease in Complex with UMass6 (UM6)
分子名称: (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
著者Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
登録日2020-03-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献To Be Determined
To Be Published
6W6S
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BU of 6w6s by Molmil
WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6)
分子名称: 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
著者Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
登録日2020-03-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献To Be Determined
To Be Published

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