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8ROY
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BU of 8roy by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24
分子名称: 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
登録日2024-01-12
公開日2024-04-03
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
8ROX
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BU of 8rox by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 12
分子名称: 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
登録日2024-01-12
公開日2024-04-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
2YF2
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BU of 2yf2 by Molmil
Crystal structure of the oligomerisation domain of C4b-binding protein from Gallus gallus
分子名称: 1,2-ETHANEDIOL, ACETATE ION, C4B BINDING PROTEIN
著者Caesar, J.J.E, Hill, F, Lea, S.M.
登録日2011-04-01
公開日2012-04-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal Structure of the Oligomerisation Domain of C4B-Binding Protein from Gallus Gallus
To be Published
7Z2C
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BU of 7z2c by Molmil
P. falciparum kinesin-8B motor domain in no nucleotide bound to tubulin dimer
分子名称: Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ...
著者Liu, T, Shilliday, F, Cook, A.D, Moores, C.A.
登録日2022-02-26
公開日2022-10-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
7Z2A
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BU of 7z2a by Molmil
P. berghei kinesin-8B motor domain in no nucleotide state bound to tubulin dimer
分子名称: Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ...
著者Liu, T, Shilliday, F, Cook, A.D, Moores, C.A.
登録日2022-02-26
公開日2022-10-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
7Z2B
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BU of 7z2b by Molmil
P. berghei kinesin-8B motor domain in AMPPNP state bound to tubulin dimer
分子名称: Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ...
著者Liu, T, Shilliday, F, Cook, A.D, Moores, C.A.
登録日2022-02-26
公開日2022-11-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
2L2Y
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BU of 2l2y by Molmil
Thiostrepton, epimer form of residue 9
分子名称: Thiostrepton
著者Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
登録日2010-08-27
公開日2011-02-02
最終更新日2013-06-26
実験手法SOLUTION NMR
主引用文献NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
2L2X
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BU of 2l2x by Molmil
Thiostrepton, oxidized at CA-CB bond of residue 9
分子名称: Thiostrepton
著者Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
登録日2010-08-27
公開日2011-02-02
最終更新日2013-06-26
実験手法SOLUTION NMR
主引用文献NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
2L2Z
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BU of 2l2z by Molmil
Thiostrepton, reduced at N-CA bond of residue 14
分子名称: Thiostrepton
著者Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
登録日2010-08-27
公開日2011-02-02
最終更新日2013-06-26
実験手法SOLUTION NMR
主引用文献NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
2L2W
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BU of 2l2w by Molmil
Thiostrepton
分子名称: Thiostrepton
著者Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
登録日2010-08-27
公開日2011-02-02
最終更新日2013-05-08
実験手法SOLUTION NMR
主引用文献NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
5TMB
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BU of 5tmb by Molmil
Crystal structure of Os79 from O. sativa in complex with UDP.
分子名称: Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE
著者Wetterhorn, K.M, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I.
登録日2016-10-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
5TMD
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BU of 5tmd by Molmil
Crystal structure of Os79 from O. sativa in complex with U2F and trichothecene.
分子名称: Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE, ...
著者Wetterhorn, K, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I.
登録日2016-10-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
5TME
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BU of 5tme by Molmil
Crystal structure of Os79 from O. sativa in complex with UDP.
分子名称: Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE
著者Wetterhorn, K.M, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I.
登録日2016-10-12
公開日2016-11-02
最終更新日2022-03-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
5J9C
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BU of 5j9c by Molmil
Crystal structure of peroxiredoxin Asp f3 C31S/C61S variant
分子名称: MAGNESIUM ION, peroxiredoxin Asp f3
著者Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M.
登録日2016-04-08
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.956 Å)
主引用文献The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus.
Sci Rep, 6, 2016
5J9B
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BU of 5j9b by Molmil
Crystal structure of peroxiredoxin Asp f3
分子名称: peroxiredoxin Asp f3
著者Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M.
登録日2016-04-08
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus.
Sci Rep, 6, 2016
1THG
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BU of 1thg by Molmil
1.8 ANGSTROMS REFINED STRUCTURE OF THE LIPASE FROM GEOTRICHUM CANDIDUM
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 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Schrag, J.D, Cygler, M.
登録日1992-07-28
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 A refined structure of the lipase from Geotrichum candidum.
J.Mol.Biol., 230, 1993
1LPM
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BU of 1lpm by Molmil
A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES
分子名称: (1R)-MENTHYL HEXYL PHOSPHONATE GROUP, 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Grochulski, P.G, Cygler, M.C.
登録日1995-01-06
公開日1995-04-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A Structural Basis for the Chiral Preferences of Lipases
J.Am.Chem.Soc., 116, 1994
1LPN
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BU of 1lpn by Molmil
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
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, CALCIUM ION, ...
著者Grochulski, P.G, Cygler, M.C.
登録日1995-01-11
公開日1995-04-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
1LPS
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BU of 1lps by Molmil
A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES
分子名称: (1S)-MENTHYL HEXYL PHOSPHONATE GROUP, 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Grochulski, P.G, Cygler, M.C.
登録日1995-01-05
公開日1995-02-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A Structural Basis for the Chiral Preferences of Lipases
J.Am.Chem.Soc., 116, 1994
1LPP
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BU of 1lpp by Molmil
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
分子名称: 1-HEXADECANOSULFONIC ACID, 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Grochulski, P.G, Cygler, M.C.
登録日1995-01-17
公開日1995-04-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
1LPO
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BU of 1lpo by Molmil
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
分子名称: 1-HEXADECANOSULFONIC ACID, 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Grochulski, P.G, Cygler, M.C.
登録日1995-01-13
公開日1995-04-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
7PJF
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BU of 7pjf by Molmil
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
分子名称: Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O.
登録日2021-08-24
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.862 Å)
主引用文献Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
7PJE
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BU of 7pje by Molmil
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
分子名称: Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O.
登録日2021-08-24
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
6BK3
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BU of 6bk3 by Molmil
Crystal structure of Os79 from O. sativa in complex with UDP and deoxynivalenol-3-glucoside (glucose moitey not resolved)
分子名称: (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, UDP-glycosyltransferase 79, URIDINE-5'-DIPHOSPHATE
著者Wetterhorn, K, Gabardi, K, Rayment, I.
登録日2017-11-07
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa.
Biochemistry, 56, 2017
6BK1
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BU of 6bk1 by Molmil
Crystal structure of Os79 T291V from O. sativa in complex with UDP.
分子名称: UDP-glycosyltransferase 79, URIDINE-5'-DIPHOSPHATE
著者Wetterhorn, K, Gabardi, K, Rayment, I.
登録日2017-11-07
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa.
Biochemistry, 56, 2017

 

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