7OYH
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7OYF
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7OY3
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7OXV
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![BU of 7oxv by Molmil](/molmil-images/mine/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
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![BU of 7oxy by Molmil](/molmil-images/mine/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
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![BU of 7r9c by Molmil](/molmil-images/mine/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
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![BU of 7rxs by Molmil](/molmil-images/mine/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
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![BU of 7rxt by Molmil](/molmil-images/mine/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
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![BU of 7rxr by Molmil](/molmil-images/mine/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
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![BU of 7mlr by Molmil](/molmil-images/mine/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
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![BU of 7mlq by Molmil](/molmil-images/mine/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
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![BU of 7mls by Molmil](/molmil-images/mine/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
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![BU of 5d8m by Molmil](/molmil-images/mine/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
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![BU of 5es2 by Molmil](/molmil-images/mine/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
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![BU of 3fg8 by Molmil](/molmil-images/mine/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
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![BU of 5suj by Molmil](/molmil-images/mine/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
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![BU of 3na2 by Molmil](/molmil-images/mine/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
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![BU of 6wgx by Molmil](/molmil-images/mine/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
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![BU of 4ro0 by Molmil](/molmil-images/mine/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
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![BU of 4jhc by Molmil](/molmil-images/mine/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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