5KUD
 
 | | Crystal structure of full length Cry6Aa | | Descriptor: | Pesticidal crystal protein Cry6Aa | | Authors: | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K. | | Deposit date: | 2016-07-13 | | Release date: | 2016-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
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5KUC
 | | Crystal structure of trypsin activated Cry6Aa | | Descriptor: | Pesticidal crystal protein Cry6Aa | | Authors: | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E. | | Deposit date: | 2016-07-13 | | Release date: | 2016-08-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
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7LZQ
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-4425 | | Descriptor: | B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LZS
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-11029 | | Descriptor: | 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-10 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LWE
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-7629 | | Descriptor: | ACETATE ION, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-01 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LWG
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-12694 | | Descriptor: | 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide, B-cell lymphoma 6 protein, GLYCEROL, ... | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-01 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7LWF
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-9320 | | Descriptor: | B-cell lymphoma 6 protein, GLYCEROL, N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-01 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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4NCG
 | | Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses | | 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, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Yan, Y. | | Deposit date: | 2013-10-24 | | Release date: | 2014-02-12 | | Last modified: | 2022-10-12 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
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4GKP
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4GKQ
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4GKR
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3T3Y
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3T4H
 | | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | | Authors: | Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-07-26 | | Release date: | 2012-03-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
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3T4V
 | | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-07-26 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.732 Å) | | Cite: | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
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