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7E4Z
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Crystal structure of tubulin in complex with Maytansinol
分子名称: (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-16
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7E4Q
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BU of 7e4q by Molmil
Crystal structure of tubulin in complex with L-DM1-SMe
分子名称: (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-14
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
8W8S
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BU of 8w8s by Molmil
Cryo-EM structure of the AA14-bound GPR101 complex
分子名称: 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, Probable G-protein coupled receptor 101
著者Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P.
登録日2023-09-04
公開日2024-01-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of GPR101-Gs enables identification of ligands with rejuvenating potential.
Nat.Chem.Biol., 20, 2024
8W8R
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BU of 8w8r by Molmil
Cryo-EM structure of the AA-14-bound GPR101-Gs complex
分子名称: 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P.
登録日2023-09-04
公開日2024-01-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of GPR101-Gs enables identification of ligands with rejuvenating potential.
Nat.Chem.Biol., 20, 2024
7E4R
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BU of 7e4r by Molmil
Crystal structure of tubulin in complex with D-DM1-SMe
分子名称: (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-15
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7EA7
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BU of 7ea7 by Molmil
crystal structure of NAP1 LIR in complex with GABARAP
分子名称: Gamma-aminobutyric acid receptor-associated protein, NAP1_LIR motif
著者Fu, T, Pan, L.
登録日2021-03-06
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
7EA2
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crystal structure of NAP1 FIR in complex with RB1CC1 Claw domain
分子名称: 5-azacytidine-induced protein 2,RB1-inducible coiled-coil protein 1, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Fu, T, Pan, L.
登録日2021-03-06
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
7EAA
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BU of 7eaa by Molmil
crystal structure of NDP52 SKICH domain in complex with RB1CC1 coiled-coil domain
分子名称: Calcium-binding and coiled-coil domain-containing protein 2, RB1-inducible coiled-coil protein 1
著者Fu, T, Pan, L.
登録日2021-03-06
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and biochemical advances on the recruitment of the autophagy-initiating ULK and TBK1 complexes by autophagy receptor NDP52.
Sci Adv, 7, 2021
7EN3
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BU of 7en3 by Molmil
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
7EPZ
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BU of 7epz by Molmil
Overall structure of Erastin-bound xCT-4F2hc complex
分子名称: 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q.
登録日2021-04-28
公開日2022-04-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
6CKO
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BU of 6cko by Molmil
Crystal structure of an AF10 fragment
分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10, ...
著者Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-02-28
公開日2018-03-21
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
8K8S
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BU of 8k8s by Molmil
F8-A22-E4 complex of MPXV in complex with DNA and Ara-CTP
分子名称: 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ...
著者Shen, Y.P, Li, Y.N, Yan, R.H.
登録日2023-07-31
公開日2024-06-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
8K8U
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BU of 8k8u by Molmil
F8-A22-E4 complex of MPXV in complex with DNA and dCTP
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ...
著者Shen, Y.P, Li, Y.N, Yan, R.H.
登録日2023-07-31
公開日2024-06-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
4GO5
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BU of 4go5 by Molmil
The regulatory subunit of aspartate kinase from Mycobacterium tuberculosis
分子名称: Aspartokinase
著者Yang, Q, Li, X.
登録日2012-08-18
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural view of the regulatory subunit of aspartate kinase from Mycobacterium tuberculosis.
Protein Cell, 2, 2011
6KJW
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BU of 6kjw by Molmil
Galectin-13 variant C136S
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.
登録日2019-07-23
公開日2019-10-16
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
6KJX
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BU of 6kjx by Molmil
Galectin-13 variant C138S
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.
登録日2019-07-23
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
6KJY
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BU of 6kjy by Molmil
Galectin-13 variant C136S/C138S
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.
登録日2019-07-23
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
7CE8
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BU of 7ce8 by Molmil
Crystal structure of T2R-TTL-Compound11 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.725 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
4GO7
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BU of 4go7 by Molmil
The regulatory subunit of aspartate kinase in complex with threonine from Mycobacterium tuberculosis
分子名称: Aspartokinase, THREONINE
著者Yang, Q, Li, X.
登録日2012-08-19
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural view of the regulatory subunit of aspartate kinase from Mycobacterium tuberculosis.
Protein Cell, 2, 2011
6AG0
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BU of 6ag0 by Molmil
The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, CALCIUM ION
著者Li, Z.F, Li, Y.L, Ban, X.F, Zhang, C.Y, Jin, T.C, Xie, X.F, Gu, Z.B, Li, C.M.
登録日2018-08-09
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04.
Int.J.Biol.Macromol., 138, 2019
4I79
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BU of 4i79 by Molmil
Crystal structure of human NUP43
分子名称: Nucleoporin Nup43, UNKNOWN ATOM OR ION, floating chain, ...
著者Xu, C, Tempel, W, Li, Z, He, H, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-11-30
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of human nuclear pore complex component NUP43.
Febs Lett., 589, 2015
5XS5
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BU of 5xs5 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus procapsid particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
7FAJ
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BU of 7faj by Molmil
CARM1 bound with compound 43
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2450726 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
7FAI
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BU of 7fai by Molmil
CARM1 bound with compound 9
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09749269 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
5XS4
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Structure of Coxsackievirus A6 (CVA6) virus A-particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017

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