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5BMV
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BU of 5bmv by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-Vinblastine COMPLEX
分子名称: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Chen, Q, Zhang, R.
登録日2015-05-23
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules.
Mol.Pharmacol., 89, 2016
8PM2
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BU of 8pm2 by Molmil
Structure of the murine trace amine-associated receptor TAAR7f bound to N,N-dimethylcyclohexylamine (DMCH) in complex with mini-Gs trimeric G protein
分子名称: CHOLESTEROL HEMISUCCINATE, 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Gusach, A, Lee, Y, Edwards, P.C, Huang, F, Weyand, S.N, Tate, C.G.
登録日2023-06-28
公開日2023-08-09
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Molecular recognition of an aversive odorant by the murine trace amine-associated receptor TAAR7f.
Biorxiv, 2023
3W4R
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BU of 3w4r by Molmil
Crystal structure of an insect chitinase from the Asian corn borer, Ostrinia furnacalis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
著者Chen, L, Liu, T, Zhou, Y, Shen, X, Yang, Q.
登録日2013-01-10
公開日2014-02-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting
Acta Crystallogr.,Sect.D, 70, 2014
5JHG
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BU of 5jhg by Molmil
Crystal structure of the complex between the human RhoA and the DH/PH domain of human ARHGEF11
分子名称: GLYCEROL, Rho guanine nucleotide exchange factor 11, Transforming protein RhoA
著者Wang, R, Chen, Q, Zhang, H, Yan, Z, Li, J, Miao, L, Wang, F.
登録日2016-04-21
公開日2017-04-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and ARHGEF11
To Be Published
6M3M
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BU of 6m3m by Molmil
Crystal structure of SARS-CoV-2 nucleocapsid protein N-terminal RNA binding domain
分子名称: Nucleoprotein
著者Chen, S, Kang, S.
登録日2020-03-04
公開日2020-03-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of SARS-CoV-2 nucleocapsid protein RNA binding domain reveals potential unique drug targeting sites.
Acta Pharm Sin B, 10, 2020
5ZVS
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BU of 5zvs by Molmil
Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly
分子名称: Putative core protein NTPase/VP5, VP2, VP3
著者Liu, H, Fang, Q, Cheng, L.
登録日2018-05-12
公開日2018-07-04
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZVT
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Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly
分子名称: C-terminus of outer capsid protein VP5, Core protein VP6, MYRISTIC ACID, ...
著者Liu, H, Fang, Q, Cheng, L.
登録日2018-05-12
公開日2018-07-04
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7F7W
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BU of 7f7w by Molmil
JAK2-JH2
分子名称: 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2
著者Niu, L.
登録日2021-06-30
公開日2022-03-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms.
Blood Cancer J, 12, 2022
4XUK
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BU of 4xuk by Molmil
Crystal structure of hydrolase AbOPH in beta lactamase superfamily
分子名称: Putative hydrolase, ZINC ION
著者Chen, J, Xu, J.H, Zhou, J.H.
登録日2015-01-26
公開日2015-10-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Marked enhancement of Acinetobacter sp. organophosphorus hydrolase activity by a single residue substitution Ile211Ala
Bioresour Bioprocess, 2015
6K7P
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BU of 6k7p by Molmil
Crystal structure of human AFF4-THD domain
分子名称: AF4/FMR2 family member 4
著者Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S.
登録日2019-06-08
公開日2020-03-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription.
Cell Discov, 6, 2020
8I5N
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BU of 8i5n by Molmil
Rat Kir4.1 in complex with PIP2 and Lys05
分子名称: ATP-sensitive inward rectifier potassium channel 10, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Zhao, C, Guo, J.
登録日2023-01-26
公開日2024-02-28
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Pharmacological inhibition of Kir4.1 evokes rapid-onset antidepressant responses.
Nat.Chem.Biol., 20, 2024
8I5M
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BU of 8i5m by Molmil
Rat Kir4.1 in complex with PIP2
分子名称: ATP-sensitive inward rectifier potassium channel 10, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Zhao, C, Guo, J.
登録日2023-01-26
公開日2024-02-28
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Pharmacological inhibition of Kir4.1 evokes rapid-onset antidepressant responses.
Nat.Chem.Biol., 20, 2024
3X21
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BU of 3x21 by Molmil
Crystal structure of Escherichia coli nitroreductase NfsB mutant T41L/N71S/F124W
分子名称: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Bai, J, Yang, J, Zhou, Y, Yang, Q.
登録日2014-12-06
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Altering the regioselectivity of a nitroreductase in the synthesis of arylhydroxylamines by structure-based engineering.
Chembiochem, 16, 2015
8S9M
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BU of 8s9m by Molmil
DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9N
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BU of 8s9n by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
5XM6
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BU of 5xm6 by Molmil
the overall structure of VrEH2
分子名称: Epoxide hydrolase
著者Li, F.L, Kong, X.D, Yu, H.L, Shang, Y.P, Zhou, J.H, Xu, J.H.
登録日2017-05-12
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
9JH6
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Activation mechanism of CYSLTR2 by C20:0
分子名称: Cer(d18:0/20:0), Cysteinyl leukotriene receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, J.L, Sun, J.P, Yu, X.
登録日2024-09-09
公開日2025-04-30
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Sensing ceramides by CYSLTR2 and P2RY6 to aggravate atherosclerosis.
Nature, 641, 2025
8HNK
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CXCR3-DNGi complex activated by CXCL11
分子名称: C-X-C motif chemokine 11, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiao, H.Z, Hu, H.L.
登録日2022-12-08
公開日2023-11-29
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNN
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Structure of CXCR3 complexed with antagonist SCH546738
分子名称: 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide, CHOLESTEROL, Nb6, ...
著者Jiao, H.Z, Hu, H.L.
登録日2022-12-08
公開日2023-11-29
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNL
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CXCR3-DNGi complex activated by PS372424
分子名称: (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiao, H.Z, Hu, H.L.
登録日2022-12-08
公開日2023-11-29
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNM
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CXCR3-DNGi complex activated by VUF11222
分子名称: CHOLESTEROL, 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Jiao, H.Z, Hu, H.L.
登録日2022-12-08
公開日2023-11-29
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HU4
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Limosilactobacillus reuteri N1 GtfB
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-22
公開日2023-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HWK
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Limosilactobacillus reuteri N1 GtfB-maltohexaose
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-30
公開日2024-01-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HW3
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Limosilactobacillus reuteri N1 GtfB-acarbose
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)-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-28
公開日2024-01-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024

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