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5WUZ
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BU of 5wuz by Molmil
Morintides mO1
分子名称: Morintide mO1
著者Xiao, T, Tam, J.P.
登録日2016-12-21
公開日2017-01-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Morintides: 8C-Hevein-like peptides without a protein cargo from the drumstick tree Moringa oleifera
To Be Published
4IAG
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BU of 4iag by Molmil
Crystal structure of ZbmA, the zorbamycin binding protein from Streptomyces flavoviridis
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein
著者Cuff, M.E, Bigelow, L, Bruno, C.J.P, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2012-12-06
公開日2013-02-20
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
2MG8
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BU of 2mg8 by Molmil
Solution structure of TFF1 Estrogen Response Element complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
分子名称: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*GP*GP*TP*CP*AP*CP*GP*GP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*CP*CP*GP*TP*GP*AP*CP*CP*T)-3'
著者Lin, C.
登録日2013-10-30
公開日2014-04-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator.
Nucleic Acids Res., 42, 2014
7X8R
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BU of 7x8r by Molmil
Cryo-EM structure of the Boc5-bound hGLP-1R-Gs complex
分子名称: 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W.
登録日2022-03-14
公開日2022-06-29
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X8S
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BU of 7x8s by Molmil
Cryo-EM structure of the WB4-24-bound hGLP-1R-Gs complex
分子名称: 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W.
登録日2022-03-14
公開日2022-06-29
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 2022
5V9U
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BU of 5v9u by Molmil
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
分子名称: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
登録日2017-03-23
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
7V9L
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BU of 7v9l by Molmil
Cryo-EM structure of the SV1-Gs complex.
分子名称: GHRH receptor splice variant 1,GHRH receptor splice variant 1,GHRH receptor splice variant 1,SV1, 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Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Cheng, X, Yang, D.H, Wang, M.W.
登録日2021-08-26
公開日2022-04-06
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7VBH
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BU of 7vbh by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex
分子名称: Glucagon-like peptide 1 receptor, 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Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-31
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7F2O
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BU of 7f2o by Molmil
Cryo-EM structure of the type 2 bradykinin receptor in complex with the bradykinin and an Gq protein
分子名称: ARG-PRO-PRO-GLY-PHE-SER-PRO-PHE-ARG, B2 bradykinin receptor, G subunit q (Gi1-Gq chimeric), ...
著者Yin, Y, Jiang, Y.
登録日2021-06-11
公開日2021-10-13
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular basis for kinin selectivity and activation of the human bradykinin receptors.
Nat.Struct.Mol.Biol., 28, 2021
7XMR
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BU of 7xmr by Molmil
CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14
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Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
4ZR6
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BU of 4zr6 by Molmil
Lymnaea Stagnalis Acetylcholine Binding Protein in Complex with 3-[(4E)-4-[(3-methylimidazol-4-yl)methylene]-2,3-dihydropyrrol-5-yl]pyridine
分子名称: 3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine, Acetylcholine-binding protein
著者Bobango, J, Bryant, D, Denton, T.T, Talley, T.T.
登録日2015-05-11
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-guided design and analysis of arylidene anabaseines and myosmines
To be Published
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
7DM2
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BU of 7dm2 by Molmil
crystal structure of the M. tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-170
分子名称: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
著者Ma, B, Freund, N, Xiang, Y.
登録日2020-12-01
公開日2020-12-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
7DM1
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crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36
分子名称: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
著者Ma, B, Freund, N, Xiang, Y.
登録日2020-12-01
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
7DMO
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Crystal structures of two pericyclases catalyzing [4+2] cycloadditions
分子名称: Diels-Alderase
著者Wang, Z.D, Chi, C.B, Ma, M.
登録日2020-12-04
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
7DMN
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BU of 7dmn by Molmil
Crystal structure of two pericyclases catalyzing [4+2] cycloaddition
分子名称: Diels-Alderase fsa2, GLYCEROL
著者Chi, C.B, Wang, Z.D, Liu, T, Zhang, Z.Y, Ma, M.
登録日2020-12-04
公開日2021-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
7CRN
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BU of 7crn by Molmil
The Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization
分子名称: Non-ribosomal peptide synthetase 4
著者Yu, J.H, Song, J, Chi, C.B, Ma, M.
登録日2020-08-14
公開日2021-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021
7DW9
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BU of 7dw9 by Molmil
Cryo-EM structure of human V2 vasopressin receptor in complex with an Gs protein
分子名称: CHOLESTEROL, CYS-TYR-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhou, F, Jiang, Y.
登録日2021-01-15
公開日2021-07-21
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of ligand recognition and activation of human V2 vasopressin receptor.
Cell Res., 31, 2021
7V3X
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BU of 7v3x by Molmil
Crystal Structure of Cyanobacterial Circadian Clock Protein KaiC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ...
著者Furuike, Y, Akiyama, S.
登録日2021-08-11
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Elucidation of master allostery essential for circadian clock oscillation in cyanobacteria.
Sci Adv, 8, 2022
7DWS
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BU of 7dws by Molmil
The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions
分子名称: Endolysin, ZINC ION
著者Chen, X, Chen, S.
登録日2021-01-17
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally designed protein cross-linked hydrogel for bone regeneration via synergistic release of magnesium and zinc ions.
Biomaterials, 274, 2021
7E4M
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Class I Pimarane-Type Diterpene Synthases Stt4548
分子名称: Stt4548
著者Yu, J.H, Xing, B.Y, Ma, M.
登録日2021-02-14
公開日2021-10-06
最終更新日2022-04-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Functional characterization and structural bases of two class I diterpene synthases in pimarane-type diterpene biosynthesis
Commun Chem, 4, 2021
7E4O
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Class I Pimarane-Type Diterpene Synthases from Actinomycetes
分子名称: Sat1646
著者Yu, J.H, Xing, B.Y, Ma, M.
登録日2021-02-14
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functional characterization and structural bases of two class I diterpene synthases in pimarane-type diterpene biosynthesis
Commun Chem, 4, 2021
7E4N
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Crystal structure of Sat1646
分子名称: MAGNESIUM ION, Sat1646
著者Yu, J.H, Xing, B.Y, Ma, M.
登録日2021-02-14
公開日2021-10-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Functional characterization and structural bases of two class I diterpene synthases in pimarane-type diterpene biosynthesis
Commun Chem, 4, 2021
7EIB
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Cryo-EM structure of the type 1 bradykinin receptor in complex with the des-Arg10-kallidin and an Gq protein
分子名称: B1 bradykinin receptor, G subunit q (Gi1-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yin, Y, Jiang, Y.
登録日2021-03-30
公開日2021-10-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular basis for kinin selectivity and activation of the human bradykinin receptors.
Nat.Struct.Mol.Biol., 28, 2021
7DXO
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The mutant of bifunctional thioesterase catalyzing epimerization and cyclization
分子名称: Non-ribosomal peptide synthetase 4
著者Yu, J.H, Song, J, Chi, C.B, Ma, M.
登録日2021-01-19
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021

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