8ROX
 
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 12 | | Descriptor: | 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, ... | | Authors: | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | | Deposit date: | 2024-01-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
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8ROY
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24 | | Descriptor: | 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, ... | | Authors: | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | | Deposit date: | 2024-01-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
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2YF2
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7Z2C
 | | P. falciparum kinesin-8B motor domain in no nucleotide bound to tubulin dimer | | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | | Deposit date: | 2022-02-26 | | Release date: | 2022-10-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
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7Z2A
 | | P. berghei kinesin-8B motor domain in no nucleotide state bound to tubulin dimer | | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ... | | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | | Deposit date: | 2022-02-26 | | Release date: | 2022-10-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
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7Z2B
 | | P. berghei kinesin-8B motor domain in AMPPNP state bound to tubulin dimer | | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ... | | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | | Deposit date: | 2022-02-26 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
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2L2X
 | | Thiostrepton, oxidized at CA-CB bond of residue 9 | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-06-26 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2L2Z
 | | Thiostrepton, reduced at N-CA bond of residue 14 | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-06-26 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2L2W
 | | Thiostrepton | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2L2Y
 | | Thiostrepton, epimer form of residue 9 | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-06-26 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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5TMB
 | | Crystal structure of Os79 from O. sativa in complex with UDP. | | Descriptor: | Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE | | Authors: | Wetterhorn, K.M, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I. | | Deposit date: | 2016-10-12 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
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5TME
 | | Crystal structure of Os79 from O. sativa in complex with UDP. | | Descriptor: | Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE | | Authors: | Wetterhorn, K.M, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I. | | Deposit date: | 2016-10-12 | | Release date: | 2016-11-02 | | Last modified: | 2022-03-16 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
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5TMD
 | | Crystal structure of Os79 from O. sativa in complex with U2F and trichothecene. | | Descriptor: | Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE, ... | | Authors: | Wetterhorn, K, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I. | | Deposit date: | 2016-10-12 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
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5J9B
 | | Crystal structure of peroxiredoxin Asp f3 | | Descriptor: | peroxiredoxin Asp f3 | | Authors: | Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M. | | Deposit date: | 2016-04-08 | | Release date: | 2016-09-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus.
Sci Rep, 6, 2016
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5J9C
 | | Crystal structure of peroxiredoxin Asp f3 C31S/C61S variant | | Descriptor: | MAGNESIUM ION, peroxiredoxin Asp f3 | | Authors: | Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M. | | Deposit date: | 2016-04-08 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus.
Sci Rep, 6, 2016
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1TRH
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1LPM
 | | A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES | | Descriptor: | (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, ... | | Authors: | Grochulski, P.G, Cygler, M.C. | | Deposit date: | 1995-01-06 | | Release date: | 1995-04-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | A Structural Basis for the Chiral Preferences of Lipases
J.Am.Chem.Soc., 116, 1994
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1LPN
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1LPS
 | | A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES | | Descriptor: | (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, ... | | Authors: | Grochulski, P.G, Cygler, M.C. | | Deposit date: | 1995-01-05 | | Release date: | 1995-02-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | A Structural Basis for the Chiral Preferences of Lipases
J.Am.Chem.Soc., 116, 1994
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1LPP
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1LPO
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7PJF
 | | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | | Descriptor: | Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | | Deposit date: | 2021-08-24 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.862 Å) | | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
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7PJE
 | | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | | Descriptor: | Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | | Deposit date: | 2021-08-24 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
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6HL0
 | | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide | | Descriptor: | Bile acid receptor, NCoA-2 peptide (Nuclear receptor coactivator 2), LYS-GLU-ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP-LYS-ASP | | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | | Deposit date: | 2018-09-10 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Molecular tuning of farnesoid X receptor partial agonism.
Nat Commun, 10, 2019
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6BK3
 | | Crystal structure of Os79 from O. sativa in complex with UDP and deoxynivalenol-3-glucoside (glucose moitey not resolved) | | Descriptor: | (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, UDP-glycosyltransferase 79, URIDINE-5'-DIPHOSPHATE | | Authors: | Wetterhorn, K, Gabardi, K, Rayment, I. | | Deposit date: | 2017-11-07 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa.
Biochemistry, 56, 2017
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