5TWZ
 
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5TWY
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5TWU
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | 分子名称: | Maternal embryonic leucine zipper kinase | | 著者 | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | | 登録日 | 2016-11-14 | | 公開日 | 2017-11-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.603 Å) | | 主引用文献 | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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7TEU
 | | Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 | | 分子名称: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Hubbard, S.R. | | 登録日 | 2022-01-05 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation.
Cell Chem Biol, 30, 2023
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8TJL
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8UEL
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7VP9
 | | Crystal structure of human ClpP in complex with ZG111 | | 分子名称: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | 著者 | Wang, P.Y, Gan, J.H, Yang, C.-G. | | 登録日 | 2021-10-15 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.552 Å) | | 主引用文献 | Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
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8I7X
 | | Crystal structure of human ClpP in complex with ZG36 | | 分子名称: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | 著者 | Wang, P.Y, Gan, J.H, Yang, C.-G. | | 登録日 | 2023-02-02 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | 分子名称: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | 分子名称: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8KHQ
 | | Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine | | 分子名称: | 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ... | | 著者 | Wang, J, Ye, K, Wang, X.Y, Yan, W.P. | | 登録日 | 2023-08-22 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
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7DYB
 | | Thermotoga maritima ferritin mutant-FLAL-L | | 分子名称: | FE (III) ION, Ferritin | | 著者 | Zhao, G, Zhang, X. | | 登録日 | 2021-01-20 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.779 Å) | | 主引用文献 | Protein interface redesign facilitates the transformation of nanocage building blocks to 1D and 2D nanomaterials.
Nat Commun, 12, 2021
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7DY9
 | | Thermotoga maritima ferritin mutant-FLAL | | 分子名称: | Ferritin | | 著者 | Zhao, G, Zhang, X. | | 登録日 | 2021-01-20 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | | 主引用文献 | Protein interface redesign facilitates the transformation of nanocage building blocks to 1D and 2D nanomaterials.
Nat Commun, 12, 2021
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7DYA
 | | Crystal structure of TmFtn with calcium ions | | 分子名称: | CALCIUM ION, FE (III) ION, Ferritin | | 著者 | Zhang, X, Zhao, G. | | 登録日 | 2021-01-20 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.197 Å) | | 主引用文献 | Protein interface redesign facilitates the transformation of nanocage building blocks to 1D and 2D nanomaterials.
Nat Commun, 12, 2021
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7DY8
 | | Thermotoga maritima ferritin mutant-FLAL | | 分子名称: | CALCIUM ION, FE (III) ION, Ferritin | | 著者 | Zhang, X, Zhao, G. | | 登録日 | 2021-01-20 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.103 Å) | | 主引用文献 | Protein interface redesign facilitates the transformation of nanocage building blocks to 1D and 2D nanomaterials.
Nat Commun, 12, 2021
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7KWU
 | | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | | 著者 | Ruiz, F.X, Arnold, E. | | 登録日 | 2020-12-02 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
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7W2I
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7LRD
 | | Cryo-EM of the SLFN12-PDE3A complex: Consensus subset model | | 分子名称: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Fuller, J.R, Garvie, C.W, Lemke, C.T. | | 登録日 | 2021-02-16 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
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7LRE
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7LRC
 | | Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement | | 分子名称: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Fuller, J.R, Garvie, C.W, Lemke, C.T. | | 登録日 | 2021-02-16 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
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7L28
 | | Crystal structure of the catalytic domain of human PDE3A bound to Trequinsin | | 分子名称: | (2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one, ACETATE ION, MAGNESIUM ION, ... | | 著者 | Horner, S.W, Garvie, C. | | 登録日 | 2020-12-16 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
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7L27
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7L29
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7KWE
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7EN3
 | | Crystal structure of tubulin in complex with Tubulysin analogue TGL | | 分子名称: | (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Wang, Y, Li, W. | | 登録日 | 2021-04-15 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.643 Å) | | 主引用文献 | The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues.
Biochem.Biophys.Res.Commun., 565, 2021
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