7OYH
 
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7OYF
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7OY3
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7OXV
 | | Crystal structure of depupylase Dop in the Dop-loop-inserted state | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Depupylase, ... | | 著者 | Cui, H. | | 登録日 | 2021-06-23 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.394 Å) | | 主引用文献 | Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Nat Commun, 12, 2021
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7OXY
 | | Crystal structure of depupylase Dop in complex with Pup and AMP-PCP | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Cui, H. | | 登録日 | 2021-06-23 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Nat Commun, 12, 2021
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7R9C
 | | Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | | 著者 | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-06-29 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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7RXS
 | | Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | | 分子名称: | 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | | 著者 | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-08-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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7RXT
 | | Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | | 分子名称: | 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | | 著者 | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-08-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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7RXR
 | | Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | | 著者 | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-08-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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7MLR
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1- yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (DW34) | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | | 著者 | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-04-28 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
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7MLQ
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26) | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | | 著者 | Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-04-28 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
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7MLS
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) | | 分子名称: | 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... | | 著者 | Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-04-28 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
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6TZW
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5D8M
 | | Crystal structure of the metagenomic carboxyl esterase MGS0156 | | 分子名称: | Metagenomic carboxyl esterase MGS0156 | | 著者 | Cui, H, Nocek, B, Tchigvintsev, A, Popovic, A, Savchenko, A, Joachimiak, A, Yakunin, A. | | 登録日 | 2015-08-17 | | 公開日 | 2016-10-05 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of esterase (MGS0156)
To Be Published
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8HY0
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8HXX
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8HXZ
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8HXY
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5ES2
 | | The crystal structure of a functionally uncharacterized protein LPG0634 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | | 著者 | Tan, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2015-11-16 | | 公開日 | 2015-12-16 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The crystal structure of a functionally uncharacterized protein LPG0634 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
To Be Published
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3FG8
 | | Crystal structure of PAS domain of RHA05790 | | 分子名称: | (3R)-3-(phosphonooxy)butanoic acid, uncharacterized protein RHA05790 | | 著者 | Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2008-12-05 | | 公開日 | 2009-01-20 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of PAS domain of RHA05790
To be Published
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5SUJ
 | | Crystal structure of uncharacterized protein LPG2148 from Legionella pneumophila | | 分子名称: | Uncharacterized protein | | 著者 | Chang, C, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2016-08-03 | | 公開日 | 2016-08-17 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.356 Å) | | 主引用文献 | Discovery of Ubiquitin Deamidases in the Pathogenic Arsenal of Legionella pneumophila.
Cell Rep, 23, 2018
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3NA2
 | | Crystal Structure of Protein of Unknown Function from Mine Drainage Metagenome Leptospirillum rubarum | | 分子名称: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Uncharacterized protein | | 著者 | Kim, Y, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2010-05-31 | | 公開日 | 2010-07-28 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.293 Å) | | 主引用文献 | Crsystal Structure of Protein of Unknown Function from Mine Drainage Metagenome Leptospirillum rubarum
To be Published
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6WGX
 | | Cocrystal of BRD4(D1) with a selective inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | | 著者 | Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2020-04-06 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4RO0
 | | Crystal structure of MthK gating ring in a ligand-free form | | 分子名称: | Calcium-gated potassium channel MthK | | 著者 | Dong, W, Guo, R, Chai, H, Chen, Z, Cui, H, Ren, Z, Li, Y, Ye, S. | | 登録日 | 2014-10-27 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | The principle of cooperative gating in a calcium-gated K+ channel
To be Published
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4JHC
 | | Crystal structure of the uncharacterized Maf protein YceF from E. coli | | 分子名称: | GLYCEROL, Maf-like protein YceF, UNKNOWN ATOM OR ION | | 著者 | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A. | | 登録日 | 2013-03-04 | | 公開日 | 2013-03-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
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