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PDB: 77 件

7K9S
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BU of 7k9s by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with NVP-AUY922
分子名称: 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Hsp90-like protein
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7LWE
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BU of 7lwe by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-7629
分子名称: ACETATE ION, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LWG
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BU of 7lwg by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-12694
分子名称: 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, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LWF
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BU of 7lwf by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9320
分子名称: 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
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LZS
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BU of 7lzs by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-11029
分子名称: 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, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LZR
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BU of 7lzr by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-10256
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, GLYCEROL, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-10256
To Be Published
7K9W
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BU of 7k9w by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00461
分子名称: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7LZQ
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BU of 7lzq by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-4425
分子名称: 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
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7T0U
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BU of 7t0u by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-12387
分子名称: 3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-11-30
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-12387
To Be Published
7T0T
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BU of 7t0t by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-10562
分子名称: DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-11-30
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-10562
To Be Published
7T0S
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BU of 7t0s by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-11864
分子名称: 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide, CHLORIDE ION, GLYCEROL, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-11-30
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-11864
To Be Published
1BUO
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BU of 1buo by Molmil
BTB DOMAIN FROM PLZF
分子名称: PROTEIN (PROMYELOCYTIC LEUKEMIA ZINC FINGER PROTEIN PLZF)
著者Ahmad, K.F, Engel, C.K, Prive, G.G.
登録日1998-09-04
公開日1998-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the BTB domain from PLZF.
Proc.Natl.Acad.Sci.USA, 95, 1998
1D23
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BU of 1d23 by Molmil
THE STRUCTURE OF B-HELICAL C-G-A-T-C-G-A-T-C-G AND COMPARISON WITH C-C-A-A-C-G-T-T-G-G. THE EFFECT OF BASE PAIR REVERSALS
分子名称: DNA (5'-D(*CP*GP*AP*TP*CP*GP*AP*TP*CP*G)-3'), MAGNESIUM ION
著者Grzeskowiak, K, Yanagi, K, Prive, G.G, Dickerson, R.E.
登録日1991-05-29
公開日1991-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of B-helical C-G-A-T-C-G-A-T-C-G and comparison with C-C-A-A-C-G-T-T-G-G. The effect of base pair reversals.
J.Biol.Chem., 266, 1991
7RV5
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BU of 7rv5 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9287
分子名称: 2-[2-(4-benzylpiperidin-1-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide, Isoform 2 of B-cell lymphoma 6 protein
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of the BCL6 BTB domain
To Be Published
7RV3
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BU of 7rv3 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9124
分子名称: CHLORIDE ION, Isoform 2 of B-cell lymphoma 6 protein, N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of the BCL6 BTB domain
To Be Published
7RV8
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BU of 7rv8 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-10268
分子名称: DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-08-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the BCL6 BTB domain
To Be Published
7RV9
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BU of 7rv9 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-10269
分子名称: DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the BCL6 BTB domain
To Be Published
7RV7
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BU of 7rv7 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9322
分子名称: CALCIUM ION, GLYCEROL, Isoform 2 of B-cell lymphoma 6 protein, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-08-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure of the BCL6 BTB domain
To Be Published
7RV4
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BU of 7rv4 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9153
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-08-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the BCL6 BTB domain
To Be Published
7RV6
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BU of 7rv6 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9288
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Isoform 2 of B-cell lymphoma 6 protein, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structure of the BCL6 BTB domain
To Be Published
7RV0
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BU of 7rv0 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-8446
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, FORMIC ACID, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-8446
To Be Published
7RV2
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BU of 7rv2 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-8828
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-8828
To Be Published
7RUX
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BU of 7rux by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-8311
分子名称: B-cell lymphoma 6 protein, FORMIC ACID, N-(3-chloropyridin-4-yl)-2-(3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-8311
To Be Published
7RUW
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BU of 7ruw by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-7859
分子名称: 2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-7859
To Be Published
7RUZ
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BU of 7ruz by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-8445
分子名称: 2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-8445
To Be Published

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