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7DH9
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BU of 7dh9 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 7
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHC
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BU of 7dhc by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
分子名称: 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHH
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BU of 7dhh by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 19
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-14
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
分子名称: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
分子名称: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-17
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
分子名称: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-26
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DYR
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BU of 7dyr by Molmil
CryoEM Structure of Mannose Transporter ManYZ and Microcin E492 (MceA) complex
分子名称: Microcin E492, PTS system mannose-specific EIIC component, PTS system mannose-specific EIID component, ...
著者Wang, J.W, Zeng, J.W.
登録日2021-01-22
公開日2021-09-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Structure of the mannose phosphotransferase system (man-PTS) complexed with microcin E492, a pore-forming bacteriocin.
Cell Discov, 7, 2021
6YFZ
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BU of 6yfz by Molmil
Crystal structure of MKK7 (MAP2K7), apo form
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
5YSW
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BU of 5ysw by Molmil
Crystal Structure Analysis of Rif16 in complex with R-L
分子名称: (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
登録日2017-11-15
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
6J04
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BU of 6j04 by Molmil
Crystal structure of full length human LC3B delta G120 mutant (2_125)
分子名称: Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Ding, Y, Lu, B.X, Wang, Z.Y.
登録日2018-12-21
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Allele-selective lowering of mutant HTT protein by HTT-LC3 linker compounds
Nature, 575, 2019
4XAQ
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BU of 4xaq by Molmil
mGluR2 ECD and mGluR3 ECD with ligands
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ...
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
6YG1
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BU of 6yg1 by Molmil
Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix
分子名称: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, SODIUM ION
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC), Scottish Structural Proteomics Facility (SSPF)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
7N9F
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BU of 7n9f by Molmil
Structure of the in situ yeast NPC
分子名称: Dynein light chain 1, cytoplasmic, Nucleoporin 145c, ...
著者Villa, E, Singh, D, Ludtke, S.J, Akey, C.W, Rout, M.P, Echeverria, I, Suslov, S.
登録日2021-06-17
公開日2022-01-26
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (37 Å)
主引用文献Comprehensive structure and functional adaptations of the yeast nuclear pore complex.
Cell, 185, 2022
2N2K
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BU of 2n2k by Molmil
Ensemble structure of the closed state of Lys63-linked diubiquitin in the absence of a ligand
分子名称: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ubiquitin
著者Liu, Z, Gong, Z, Tang, C.
登録日2015-05-10
公開日2015-07-08
最終更新日2015-09-23
実験手法SOLUTION NMR
主引用文献Lys63-linked ubiquitin chain adopts multiple conformational states for specific target recognition.
Elife, 4, 2015
4XAR
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BU of 4xar by Molmil
mGluR2 ECD and mGluR3 ECD complex with ligands
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-11
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
5C20
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BU of 5c20 by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 2
分子名称: 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
6YG4
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BU of 6yg4 by Molmil
Crystal structure of MKK7 (MAP2K7) in complex with K00007
分子名称: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
5WWW
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BU of 5www by Molmil
Crystal structure of the KH1 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA
分子名称: RNA (5'-R(*GP*UP*UP*UP*AP*G)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C
著者Yang, L, Wang, C, Li, F, Gong, Q.
登録日2017-01-05
公開日2017-08-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
5WWZ
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BU of 5wwz by Molmil
Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C
分子名称: RNA-binding E3 ubiquitin-protein ligase MEX3C, SULFATE ION
著者Yang, L, Wang, C, Li, F, Gong, Q.
登録日2017-01-05
公開日2017-08-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017

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件を2024-07-10に公開中

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