8GZJ
 
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8GZM
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8GZL
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8GZK
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5YEI
 | | Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase | | 分子名称: | Aspartokinase, GLYCEROL, LYSINE, ... | | 著者 | Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R. | | 登録日 | 2017-09-17 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase.
Biochem.J., 475, 2018
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5VT2
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8H59
 | | A fungal MAP kinase in complex with an inhibitor | | 分子名称: | Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide | | 著者 | Kong, Z, Zhang, X, Wang, D, Liu, J. | | 登録日 | 2022-10-12 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
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7Y7J
 | | SARS-CoV-2 S trimer in complex with 1F Fab | | 分子名称: | 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, S, Liu, F, Yang, X, Zhong, G. | | 登録日 | 2022-06-22 | | 公開日 | 2023-02-22 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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7Y7K
 | | SARS-CoV-2 RBD in complex with 1F Fab | | 分子名称: | 1F VH, 1F VL, Spike protein S1 | | 著者 | Zhao, S, Liu, F, Yang, X, Zhong, G. | | 登録日 | 2022-06-22 | | 公開日 | 2023-02-22 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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4FHA
 | | Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine | | 分子名称: | Dihydrodipicolinate synthase, LYSINE, SODIUM ION | | 著者 | Perugini, M.A, Dogovski, C, Parker, M.W, Gorman, M.A. | | 登録日 | 2012-06-06 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae
To be Published
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7F7W
 | | JAK2-JH2 | | 分子名称: | 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2 | | 著者 | Niu, L. | | 登録日 | 2021-06-30 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms.
Blood Cancer J, 12, 2022
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2YPT
 | | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A | | 分子名称: | CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION | | 著者 | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | | 登録日 | 2012-11-01 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
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1PSJ
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6DDJ
 | | Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue | | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2 | | 著者 | White, S.W, Yun, M. | | 登録日 | 2018-05-10 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
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5BMV
 | | CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-Vinblastine COMPLEX | | 分子名称: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Wang, Y, Chen, Q, Zhang, R. | | 登録日 | 2015-05-23 | | 公開日 | 2016-07-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules.
Mol.Pharmacol., 89, 2016
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8F97
 | | Compound 5 bound to procaspase-6 | | 分子名称: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9A
 | | Compound 11 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9B
 | | Compound 19 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F99
 | | Compound 10 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9C
 | | Compound 20 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9D
 | | Compound 21 bound to procaspase-6 | | 分子名称: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8FBV
 | | Compound 7 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-30 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F98
 | | Compound 8 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F96
 | | Compound 3 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F78
 | | Compound 1 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-18 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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