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7VOE
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BU of 7voe by Molmil
Crystal structure of 5-HT2AR in complex with aripiprazole
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, ...
著者Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S.
登録日2021-10-13
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties.
Nat.Neurosci., 25, 2022
7VOD
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BU of 7vod by Molmil
Crystal structure of 5-HT2AR in complex with cariprazine
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S.
登録日2021-10-13
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties.
Nat.Neurosci., 25, 2022
7Y36
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BU of 7y36 by Molmil
Cryo-EM structure of the Teriparatide-bound human PTH1R-Gs complex
分子名称: 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, HYDROXIDE ION, ...
著者Zhai, X, Mao, C, Shen, Q, Zang, S, Shen, D, Zhang, H, Chen, Z, Wang, G, Zhang, C, Zhang, Y, Liu, Z.
登録日2022-06-10
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structure of the Teriparatide-bound human PTH1R-Gs complex
to be published
7Y35
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BU of 7y35 by Molmil
Cryo-EM structure of the Abaloparatide-bound human PTH1R-Gs complex
分子名称: Abaloparatide, 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Zhai, X, Mao, C, Shen, Q, Zang, S, Shen, D, Zhang, H, Chen, Z, Wang, G, Zhang, C, Zhang, Y, Liu, Z.
登録日2022-06-09
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structure of the Abaloparatide-bound human PTH1R-Gs complex
To Be Published
7Y62
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BU of 7y62 by Molmil
Crystal structure of human TFEB HLHLZ domain
分子名称: Transcription factor EB
著者Yang, G, Li, P, Lin, Y, Liu, Z, Sun, H, Zhao, Z, Fang, P, Wang, J.
登録日2022-06-18
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A small-molecule drug inhibits autophagy gene expression through the central regulator TFEB.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JX6
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BU of 8jx6 by Molmil
Deep-Sea Helicase 9 (DSH9)
分子名称: Deep-Sea Helicase 9, L(+)-TARTARIC ACID, MAGNESIUM ION
著者Wang, L, Liu, Z, Guo, F.
登録日2023-06-30
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Deep-Sea Helicase 9 (DSH9)
To Be Published
7WZ4
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BU of 7wz4 by Molmil
Structure of an orphan GPCR-G protein signaling complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Xu, J, Chen, G, Liu, Z, Du, Y.
登録日2022-02-17
公開日2022-10-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Activation and allosteric regulation of the orphan GPR88-Gi1 signaling complex.
Nat Commun, 13, 2022
7YCA
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BU of 7yca by Molmil
Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
登録日2022-07-01
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
7YGI
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BU of 7ygi by Molmil
Crystal structure of p53 DBD domain in complex with azurin
分子名称: Azurin, Cellular tumor antigen p53, PHOSPHATE ION, ...
著者Jiang, W.X, Zuo, J.Q, Hu, J.J, Chen, X.Q, Ma, L.X, Liu, Z, Xing, Q.
登録日2022-07-11
公開日2023-02-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of bacterial effector protein azurin targeting tumor suppressor p53 and inhibiting its ubiquitination.
Commun Biol, 6, 2023
4YVU
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BU of 4yvu by Molmil
Crystal structure of CotA native enzyme in the acid condition, PH5.6
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
著者Liu, Z.C, Xie, T, Wang, G.G.
登録日2015-03-20
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of CotA laccase complexed with 2,2-azinobis-(3-ethylbenzothiazoline-6-sulfonate) at a novel binding site
Acta Crystallogr.,Sect.F, 72, 2016
2Y8U
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BU of 2y8u by Molmil
A. nidulans chitin deacetylase
分子名称: CHITIN DEACETYLASE, CHLORIDE ION, COBALT (II) ION, ...
著者Penman, G, Gay, L.M, van Aalten, D.M.F.
登録日2011-02-10
公開日2012-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure and function of a broad-specificity chitin deacetylase from Aspergillus nidulans FGSC A4.
Sci Rep, 7, 2017
3HZQ
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BU of 3hzq by Molmil
Structure of a tetrameric MscL in an expanded intermediate state
分子名称: Large-conductance mechanosensitive channel
著者Liu, Z.F, Gandhi, C.S, Rees, D.C.
登録日2009-06-24
公開日2009-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.82 Å)
主引用文献Structure of a tetrameric MscL in an expanded intermediate state.
Nature, 461, 2009
8WU3
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BU of 8wu3 by Molmil
Crystal structure of RNA-dependent RNA polymerases from Alongshan virus
分子名称: RNA polymerase
著者Liu, Z.Y, Han, P, Peng, Q, Qi, J.X.
登録日2023-10-20
公開日2024-02-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of RNA-dependent RNA polymerases from Jingmen tick virus and Alongshan virus
HLIFE, 2, 2024
4YVN
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BU of 4yvn by Molmil
Crystal structure of CotA laccase complexed with ABTS at a novel binding site
分子名称: 1,2-ETHANEDIOL, 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, COPPER (II) ION, ...
著者Liu, Z.C, Xie, T, Wang, G.G.
登録日2015-03-20
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of CotA laccase complexed with 2,2-azinobis-(3-ethylbenzothiazoline-6-sulfonate) at a novel binding site
Acta Crystallogr.,Sect.F, 72, 2016
6U0D
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BU of 6u0d by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590
分子名称: Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
著者Leonard, P.G, Joseph, S.
登録日2019-08-14
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site
J. Med. Chem., 2022
6UWU
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BU of 6uwu by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516
分子名称: 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4
著者Leonard, P.G, Joseph, S.
登録日2019-11-05
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
J.Med.Chem., 63, 2020
7D8R
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BU of 7d8r by Molmil
MITF HLHLZ structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8T
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BU of 7d8t by Molmil
MITF bHLHLZ complex with M-box DNA
分子名称: DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8S
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BU of 7d8s by Molmil
MITF bHLHLZ apo structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7KPQ
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BU of 7kpq by Molmil
Crystal structure of CtdE in complex with FAD
分子名称: FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE
著者Zhao, B, Hu, L.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
7KPT
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BU of 7kpt by Molmil
Crystal structure of CtdE in complex with FAD and substrate 4
分子名称: (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Zhao, B, Hu, L.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
5TVD
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BU of 5tvd by Molmil
Crystal structure of Tm16
分子名称: Tm16
著者Asojo, O.A.
登録日2016-11-08
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献Identification, Characterization, and Structure of Tm16 from Trichuris muris.
J Parasitol Res, 2017, 2017
7S0Y
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BU of 7s0y by Molmil
Structures of TcdB in complex with Cdc42
分子名称: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zheng, L, Rongsheng, J, Peng, C.
登録日2021-08-31
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
7S0Z
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Structures of TcdB in complex with R-Ras
分子名称: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
著者Zheng, L, Rongsheng, J, Peng, C.
登録日2021-08-31
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
6KVL
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BU of 6kvl by Molmil
Crystal structure of UDP-RebB-SrUGT76G1
分子名称: (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
著者Li, J.X, Liu, Z.F, Wang, Y, Zhang, P.
登録日2019-09-04
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020

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