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9IWY
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BU of 9iwy by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with LK01003
分子名称: 2-cyclopentyl-~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2024-07-26
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IX2
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BU of 9ix2 by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with TAK-632
分子名称: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2024-07-26
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IWX
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BU of 9iwx by Molmil
Crystal structure of the mouse RIP3 kinase domain(R69H) in complexed with GSK'872
分子名称: Receptor-interacting serine/threonine-protein kinase 3, ~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2024-07-26
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IWW
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BU of 9iww by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with GSK'872
分子名称: Receptor-interacting serine/threonine-protein kinase 3, ~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2024-07-26
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IWZ
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BU of 9iwz by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with GSK'843
分子名称: 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2024-07-26
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IX1
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BU of 9ix1 by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with PP2
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2024-07-26
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IX0
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BU of 9ix0 by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with GW'39B
分子名称: 4-methyl-3-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol, Receptor-interacting serine/threonine-protein kinase 3
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2024-07-26
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IX3
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BU of 9ix3 by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with compound 18
分子名称: Receptor-interacting serine/threonine-protein kinase 3, ~{N}-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,3-dimethyl-phenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2024-07-26
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
5B73
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BU of 5b73 by Molmil
Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain
分子名称: Protein kinase C-binding protein 1, ZINC ION
著者Li, H, Li, Y, Zheng, X.
登録日2016-06-03
公開日2016-11-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes
Mol.Cell, 63, 2016
6LT0
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BU of 6lt0 by Molmil
cryo-EM structure of C9ORF72-SMCR8-WDR41
分子名称: Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41
著者Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S.
登録日2020-01-21
公開日2020-04-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a.
Proc.Natl.Acad.Sci.USA, 117, 2020
8GXR
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BU of 8gxr by Molmil
crystal structure of UBC domain of UBE2O
分子名称: (E3-independent) E2 ubiquitin-conjugating enzyme UBE2O, CITRIC ACID
著者Fu, Z, Zhu, W, Huang, H.
登録日2022-09-21
公開日2023-09-27
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the biochemical mechanism of the E2/E3 hybrid enzyme UBE2O.
Structure, 33, 2025
5GRS
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BU of 5grs by Molmil
Complex structure of the fission yeast SREBP-SCAP binding domains
分子名称: Sterol regulatory element-binding protein 1, Sterol regulatory element-binding protein cleavage-activating protein
著者Gong, X, Qian, H.W, Wu, J.P, Yan, N.
登録日2016-08-12
公開日2016-12-14
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
5GPD
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BU of 5gpd by Molmil
Crystal structure of the binding domain of SREBP from fission yeast
分子名称: Sterol regulatory element-binding protein 1
著者Gong, X, Qian, H.W, Wu, J.P, Yan, N.
登録日2016-08-01
公開日2016-11-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
8USZ
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BU of 8usz by Molmil
Cryo-EM Structure of Full-Length Spike Protein of Omicron XBB.1.5
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, Spike glycoprotein
著者Huynh, K.W, Chang, J.S, Fennell, K.F, Che, Y, Wu, H.
登録日2023-10-30
公開日2024-12-04
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Preclinical characterization of the Omicron XBB.1.5-adapted BNT162b2 COVID-19 vaccine.
Npj Vaccines, 9, 2024
8GY6
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BU of 8gy6 by Molmil
Structure of SARS-CoV-2 RNA-dependent RNA polymerase with gossypol binding
分子名称: Gossypol, Non-structural protein 7, Non-structural protein 8, ...
著者Wang, W, Ren, M, Li, F.
登録日2022-09-21
公開日2023-11-01
実験手法ELECTRON MICROSCOPY
主引用文献Structure of SARS-CoV-2 RNA-dependent RNA polymerase with gossypol binding
To Be Published
3T9N
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BU of 3t9n by Molmil
Crystal structure of a membrane protein
分子名称: DODECYL-BETA-D-MALTOSIDE, Small-conductance mechanosensitive channel
著者Yang, M, Zhang, X, Ge, J, Wang, J.
登録日2011-08-03
公開日2012-10-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.456 Å)
主引用文献Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
8HJT
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BU of 8hjt by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ...
著者Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-11-23
公開日2023-09-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
3TFQ
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BU of 3tfq by Molmil
Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE
分子名称: 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, GLYCEROL, ...
著者Sheriff, S.
登録日2011-08-16
公開日2011-11-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11beta-hydroxydehydrogenase 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 21, 2011
5MX7
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BU of 5mx7 by Molmil
1a,20S-dihydroxyvitamin D3 VDR complex
分子名称: 1a,20S-dihydroxyvitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2017-01-21
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献1 alpha,20S-Dihydroxyvitamin D3 Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis.
Sci Rep, 7, 2017
5DJN
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BU of 5djn by Molmil
Crystal structure of the Kinesin-3 KIF13A NC-CC1 mutant - Deletion of P390
分子名称: Kinesin-like protein
著者Ren, J.Q, Feng, W.
登録日2015-09-02
公開日2015-12-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural Correlation of the Neck Coil with the Coiled-coil (CC1)-Forkhead-associated (FHA) Tandem for Active Kinesin-3 KIF13A
J.Biol.Chem., 291, 2016
5YAX
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BU of 5yax by Molmil
Crystal structure of a human neutralizing antibody bound to a HBV preS1 peptide
分子名称: Large envelope protein, SODIUM ION, scFv1 antibody
著者Liu, X, Zheng, S, Ye, K, Sui, J.
登録日2017-09-02
公開日2017-10-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A potent human neutralizing antibody Fc-dependently reduces established HBV infections
Elife, 6, 2017
7YW1
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BU of 7yw1 by Molmil
crystal structure of UBE2O
分子名称: (E3-independent) E2 ubiquitin-conjugating enzyme UBE2O
著者Fu, Z, Zhu, W, Huang, H.
登録日2022-08-20
公開日2023-08-30
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Structural insights into the biochemical mechanism of the E2/E3 hybrid enzyme UBE2O.
Structure, 33, 2025
4N4I
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BU of 4n4i by Molmil
Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha in complex with histone H3.3K36me3
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Peptide from Histone H3.3, ...
著者Li, Y, Ren, Y, Li, H.
登録日2013-10-08
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression
Nature, 508, 2014
4N4H
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BU of 4n4h by Molmil
Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha in complex with histone H3.1K36me3
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Peptide from Histone H3.1, ...
著者Li, Y, Ren, Y, Li, H.
登録日2013-10-08
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression
Nature, 508, 2014
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
分子名称: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-10-19
公開日2016-11-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016

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件を2025-07-09に公開中

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