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4DRU
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BU of 4dru by Molmil
HCV NS5B in complex with macrocyclic INDOLE INHIBITOR
分子名称: 13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide, GLYCEROL, RNA-directed RNA polymerase, ...
著者Cummings, M.D, Vendeville, S.
登録日2012-02-17
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based macrocyclization yields hepatitis C virus NS5B inhibitors with improved binding affinities and pharmacokinetic properties.
Angew.Chem.Int.Ed.Engl., 51, 2012
3R3O
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BU of 3r3o by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62A at cryogenic temperature and with high redundancy
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
登録日2011-03-16
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E7V
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BU of 4e7v by Molmil
The structure of R6 bovine insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Harris, P, Frankaer, C.G, Knudsen, M.V.
登録日2012-03-19
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy.
Acta Crystallogr.,Sect.D, 68, 2012
6ER5
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BU of 6er5 by Molmil
X-ray structure of Trypanothione Reductase from Leishmania infantum in complex with 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
分子名称: 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Ilari, A, Fiorillo, A.
登録日2017-10-17
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening.
Plos Negl Trop Dis, 12, 2018
8FG6
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BU of 8fg6 by Molmil
Design of amyloidogenic peptide traps
分子名称: C104.1, amyloidogenic peptide
著者Sahtoe, D.D, Bera, A.K, Baker, D.
登録日2022-12-12
公開日2024-03-20
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of amyloidogenic peptide traps.
Nat.Chem.Biol., 20, 2024
4E7T
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BU of 4e7t by Molmil
The structure of T6 bovine insulin
分子名称: Insulin A chain, Insulin B chain, ZINC ION
著者Harris, P, Frankaer, C.G, Knudsen, M.V.
登録日2012-03-19
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy.
Acta Crystallogr.,Sect.D, 68, 2012
4E7U
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BU of 4e7u by Molmil
The structure of T3R3 bovine insulin
分子名称: Insulin A chain, Insulin B chain, THIOCYANATE ION, ...
著者Harris, P, Frankaer, C.G, Knudsen, M.V.
登録日2012-03-19
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy.
Acta Crystallogr.,Sect.D, 68, 2012
8TCS
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BU of 8tcs by Molmil
Structure of trehalose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
分子名称: ACETATE ION, COBALT (II) ION, Xylose isomerase-like TIM barrel domain-containing protein, ...
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-02
公開日2024-06-19
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TDH
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BU of 8tdh by Molmil
Structure of trehalose bound Alistipes sp. Glucoside-3-dehydrogenase AL3
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Predicted dehydrogenases and related proteins, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-03
公開日2024-06-19
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8V31
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BU of 8v31 by Molmil
Structure of Alistipes sp. 3-Keto-2-hydroxy-glucal-hydratase AL2
分子名称: Glycosyl hydrolase, MAGNESIUM ION
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-11-25
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria
To Be Published
3ITP
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BU of 3itp by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS F34K at cryogenic temperature
分子名称: CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE
著者Khangulov, V.S, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B.
登録日2009-08-28
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS F34K at cryogenic temperature
To be Published
3IU4
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BU of 3iu4 by Molmil
anti NeuGcGM3 ganglioside chimeric antibody chP3
分子名称: SULFATE ION, chP3 Fab heavy chain, chP3 Fab light chain
著者Eriksson, A, Okvist, M, Talavera, A, Krengel, U.
登録日2009-08-29
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of an anti-ganglioside antibody, and modelling of the functional mimicry of its NeuGc-GM3 antigen by an anti-idiotypic antibody.
Mol.Immunol., 46, 2009
2XKN
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BU of 2xkn by Molmil
Crystal structure of the Fab fragment of the anti-EGFR antibody 7A7
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ANTI-EGFR ANTIBODY 7A7
著者Talavera, A, Mackenzie, J, Friemann, R, Krengel, U.
登録日2010-07-09
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the Fab Fragment of the Anti-Murine Egfr Antibody 7A7 and Exploration of its Receptor Binding Site.
Mol.Immunol., 48, 2011
3G7M
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BU of 3g7m by Molmil
Structure of the thaumatin-like xylanase inhibitor TLXI
分子名称: GLYCEROL, SODIUM ION, Xylanase inhibitor TL-XI
著者Vandermarliere, E, Courtin, C.M, Lammens, W, Schoepe, J, Strelkov, S.V.
登録日2009-02-10
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of the noncompetitive xylanase inhibitor TLXI, member of the small thaumatin-like protein family.
Proteins, 78, 2010
6I83
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BU of 6i83 by Molmil
Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366
分子名称: 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M.
登録日2018-11-19
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase.
Acs Med.Chem.Lett., 11, 2020
6I82
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BU of 6i82 by Molmil
Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M.
登録日2018-11-19
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase.
Acs Med.Chem.Lett., 11, 2020
1EUW
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BU of 1euw by Molmil
ATOMIC RESOLUTION STRUCTURE OF E. COLI DUTPASE
分子名称: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, ETHYL MERCURY ION, GLYCEROL
著者Gonzalez, A, Cedergren, E, Larsson, G, Persson, R.
登録日2000-04-17
公開日2000-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic resolution structure of Escherichia coli dUTPase determined ab initio.
Acta Crystallogr.,Sect.D, 57, 2001
8TCR
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BU of 8tcr by Molmil
Structure of glucose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
分子名称: COBALT (II) ION, MALONATE ION, Sugar phosphate isomerase, ...
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-02
公開日2024-06-12
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TCD
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BU of 8tcd by Molmil
Structure of Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
分子名称: ACETATE ION, COBALT (II) ION, GLYCEROL, ...
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-06-30
公開日2024-06-12
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TCT
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BU of 8tct by Molmil
Structure of 3K-GlcH bound Bacteroides thetaiotaomicron 3-Keto-beta-glucopyranoside-1,2-Lyase BT1
分子名称: 1,5-anhydro-D-ribo-hex-3-ulose, COBALT (II) ION, PHOSPHATE ION, ...
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-02
公開日2024-06-12
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TDE
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BU of 8tde by Molmil
Structure of glucose bound Bacteroides thetaiotaomicron 3-Keto-2-hydroxy-glucal-hydratase BT2
分子名称: POTASSIUM ION, Probable secreted glycosyl hydrolase, alpha-D-glucopyranose
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-02
公開日2024-06-12
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TDA
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BU of 8tda by Molmil
Structure of Bacteroides thetaiotaomicron 3-Keto-2-hydroxy-glucal-hydratase BT2
分子名称: POTASSIUM ION, Probable secreted glycosyl hydrolase
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-02
公開日2024-06-12
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TDF
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BU of 8tdf by Molmil
Structure of Alistipes sp. Glucoside-3-dehydrogenase AL3
分子名称: Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-02
公開日2024-06-12
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TDI
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BU of 8tdi by Molmil
Structure of P2B11 Glucuronide-3-dehydrogenase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, P2B11 Glucuronide-3-dehydrogenase, ...
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-03
公開日2024-06-12
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
3ZYZ
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BU of 3zyz by Molmil
Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea jecorina at 2.1A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCOSIDE GLUCOHYDROLASE, DI(HYDROXYETHYL)ETHER, ...
著者Sandgren, M, Kaper, T, Mikkelsen, N.E, Hansson, H, Piens, K, Gudmundsson, M, Larenas, E, Kelemen, B, Karkehabadi, S.
登録日2011-08-30
公開日2012-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical Characterization and Crystal Structures of a Fungal Family 3 Beta-Glucosidase, Cel3A from Hypocrea Jecorina.
J.Biol.Chem., 289, 2014

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