8BDI
 
 | | VCB in complex with compound 32 | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.108 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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7Z2H
 | | Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine | | Descriptor: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H, ... | | Authors: | Singh, A.K, Das, K. | | Deposit date: | 2022-02-27 | | Release date: | 2022-07-20 | | Last modified: | 2022-10-12 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z2G
 | | Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine | | Descriptor: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H | | Authors: | Singh, A.K, Das, K. | | Deposit date: | 2022-02-26 | | Release date: | 2022-07-20 | | Last modified: | 2022-10-12 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z24
 | | Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (38-mer), Reverse transcriptase/ribonuclease H | | Authors: | Singh, A.K, Das, K. | | Deposit date: | 2022-02-25 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5VQP
 | | Crystal structure of human pro-TGF-beta1 | | Descriptor: | Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. | | Deposit date: | 2017-05-09 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
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1TL1
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211 | | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... | | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2004-06-09 | | Release date: | 2004-12-07 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
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6RL3
 | | Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-01 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RL6
 | | Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-01 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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1TKT
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318 | | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2004-06-09 | | Release date: | 2004-12-07 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
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3ZRC
 | | pVHL54-213-EloB-EloC complex (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE bound | | Descriptor: | (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | | Deposit date: | 2011-06-15 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Targeting the Von Hippel-Lindau E3 Ubiquitin Ligase Using Small Molecules to Disrupt the Vhl/Hif-1Alpha Interaction
J.Am.Chem.Soc., 134, 2012
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3ZRF
 | | pVHL54-213-EloB-EloC complex_apo | | Descriptor: | TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR, | | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | | Deposit date: | 2011-06-16 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Targeting the Von Hippel-Lindau E3 Ubiquitin Ligase Using Small Molecules to Disrupt the Vhl/Hif-1Alpha Interaction
J.Am.Chem.Soc., 134, 2012
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5N5W
 | | 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV3 | | Descriptor: | 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline, CALCIUM ION, ... | | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | | Deposit date: | 2017-02-14 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
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6RL4
 | | Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-01 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RM7
 | | Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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1TKZ
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW429576 | | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... | | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2004-06-09 | | Release date: | 2004-12-07 | | Last modified: | 2020-01-15 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
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1TL3
 | | Crystal structure of hiv-1 reverse transcriptase in complex with gw450557 | | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... | | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2004-06-09 | | Release date: | 2004-12-07 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
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2IZV
 | | CRYSTAL STRUCTURE OF SOCS-4 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 2.55A RESOLUTION | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Debreczeni, J.E, Bullock, A, Papagrigoriou, E, Turnbull, A, Pike, A.C.W, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S. | | Deposit date: | 2006-07-26 | | Release date: | 2006-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the SOCS4-ElonginB/C complex reveals a distinct SOCS box interface and the molecular basis for SOCS-dependent EGFR degradation.
Structure, 15, 2007
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6ENY
 | | Structure of the human PLC editing module | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Calreticulin, ... | | Authors: | Trowitzsch, S, Januliene, D, Blees, A, Moeller, A, Tampe, R. | | Deposit date: | 2017-10-07 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Structure of the human MHC-I peptide-loading complex.
Nature, 551, 2017
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7Z5R
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 | | Descriptor: | (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION | | Authors: | Davies, J.R, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-03-09 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035
To Be Published
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3ZTC
 | | pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide | | Descriptor: | (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | | Deposit date: | 2011-07-06 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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3ZUN
 | | pVHL54-213-EloB-EloC complex_(2S,4R)-4-hydroxy-1-(2-(3-methylisoxazol- 5-yl)acetyl)-N-(4-nitrobenzyl)pyrrolidine-2-carboxamide bound | | Descriptor: | (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, GLYCEROL, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Van Molle, I, Buckley, D, Crews, C.M, Ciulli, A. | | Deposit date: | 2011-07-19 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Elongin-B, Elongin-C, Von Hippel-Lindau Disease Tumor Suppressor Complex
To be Published
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3ZTD
 | | pVHL54-213-EloB-EloC complex _ methyl 4-(((2S,4R)-4-hydroxy-1-(2-(3- methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxamido)methyl)benzoate | | Descriptor: | METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | | Authors: | VanMolle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | | Deposit date: | 2011-07-07 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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4AJY
 | | von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide | | Descriptor: | GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | Deposit date: | 2012-02-21 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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4B95
 | | pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound | | Descriptor: | (2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1Alpha
Angew.Chem.Int.Ed.Engl., 51, 2012
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1S1T
 | | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with UC-781 | | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, PHOSPHATE ION, Reverse transcriptase | | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | | Deposit date: | 2004-01-07 | | Release date: | 2004-06-29 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
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