5MPN
 
 | | Crystal structure of CREBBP bromodomain complexed with FA26 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2016-12-16 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5OWK
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6TS3
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6EKQ
 | | Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2 | | 分子名称: | NITRATE ION, Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2017-09-26 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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6FQT
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7RJT
 | | Aplysia Slo1 with Barium | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ... | | 著者 | Zhu, J, Srivastava, S, Cachau, R, Holmgren, M. | | 登録日 | 2021-07-21 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | | 主引用文献 | CryoEM structure of Aplysia Slo1 with 10 mM Ba2+ at 2.93 A
To Be Published
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7RK6
 | | Aplysia Slo1 with Barium | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ... | | 著者 | Zhu, J, Srivastava, S, Cachau, R, Holmgren, M. | | 登録日 | 2021-07-22 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-04-05 | | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | | 主引用文献 | CryoEM structure of Aplysia Slo1 with 0 mM Ba2+ at 2.91 A
To Be Published
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7FBJ
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ... | | 著者 | Zhu, J, Xu, T, Feng, B, Liu, J. | | 登録日 | 2021-07-11 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
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7FBK
 | | Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1 | | 著者 | Zhu, J, Xu, T, Feng, B, Liu, J. | | 登録日 | 2021-07-11 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
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4YLM
 | | Structure of PvcB, an Fe, alpha-ketoglutarate dependent oxygenase from an isonitrile synthetic pathway | | 分子名称: | GLYCEROL, Pyoverdine biosynthesis protein PvcB | | 著者 | Zhu, J, Lippa, G.M, Gulick, A.M, Tipton, P.A. | | 登録日 | 2015-03-05 | | 公開日 | 2015-04-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Examining Reaction Specificity in PvcB, a Source of Diversity in Isonitrile-Containing Natural Products.
Biochemistry, 54, 2015
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5C89
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5C85
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5C7N
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5C87
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7TCT
 | | Integrin alaphIIBbeta3 complex with UR2922 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2021-12-28 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TD8
 | | Integrin alaphIIBbeta3 complex with Tirofiban | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2021-12-30 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7THO
 | | Integrin alaphIIBbeta3 complex with Eptifibatide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2022-01-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U60
 | | Integrin alaphIIBbeta3 complex with cRGDfV | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... | | 著者 | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | | 登録日 | 2022-03-03 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TPD
 | | Integrin alaphIIBbeta3 complex with EF5154 | | 分子名称: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2022-01-25 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TMZ
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 | | 分子名称: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2022-01-20 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.20002 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U9V
 | | Integrin alaphIIBbeta3 complex with BMS4-1 | | 分子名称: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2022-03-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.25492167 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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5MWG
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ091 | | 分子名称: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2017-01-18 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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5MWH
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5MWZ
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5NLK
 | | Crystal structure of CREBBP bromodomain complexd with US13A | | 分子名称: | CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2017-04-04 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ACS Cent Sci, 4, 2018
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