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7DM1
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BU of 7dm1 by Molmil
crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36
Descriptor: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
Authors:Ma, B, Freund, N, Xiang, Y.
Deposit date:2020-12-01
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
7FIN
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BU of 7fin by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GIPR-Gs complex
Descriptor: CHOLESTEROL, GAMMA-L-GLUTAMIC ACID, Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, ...
Authors: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.
Deposit date:2021-07-31
Release date:2022-02-23
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7FIY
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BU of 7fiy by Molmil
Cryo-EM structure of the tirzepatide-bound human GIPR-Gs complex
Descriptor: CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors: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.
Deposit date:2021-08-01
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7FIM
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BU of 7fim by Molmil
Cryo-EM structure of the tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,human 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, ...
Authors: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.
Deposit date:2021-07-31
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7E14
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BU of 7e14 by Molmil
Compound2_GLP-1R_OWL833_Gs complex structure
Descriptor: 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, CHOLESTEROL, G protein, ...
Authors:Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W.
Deposit date:2021-01-30
Release date:2021-07-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7DTY
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BU of 7dty by Molmil
Structural basis of ligand selectivity conferred by the human glucose-dependent insulinotropic polypeptide receptor
Descriptor: CHOLESTEROL, Gastric inhibitory polypeptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, F.H, Zhang, C, Zhou, Q.T, Hang, K.N, Zou, X.Y, Chen, Y, Wu, F, Rao, Q.D, Dai, A.T, Yin, W.C, Shen, D.D, Zhang, Y, Xia, T, Stevens, R.C, Xu, H.E, Yang, D.H, Zhao, L.H, Wang, M.W.
Deposit date:2021-01-06
Release date:2021-08-04
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into hormone recognition by the human glucose-dependent insulinotropic polypeptide receptor.
Elife, 10, 2021
2N87
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BU of 2n87 by Molmil
Solution structure of the PPIase domain of TbPar42
Descriptor: Uncharacterized protein
Authors:Rehic, E, Bayer, P.
Deposit date:2015-10-05
Release date:2016-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Analysis of the 42 kDa Parvulin of Trypanosoma brucei.
Biomolecules, 9, 2019
7X8R
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BU of 7x8r by Molmil
Cryo-EM structure of the Boc5-bound hGLP-1R-Gs complex
Descriptor: 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, ...
Authors: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.
Deposit date:2022-03-14
Release date:2022-06-29
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2022-03-14
Release date:2022-06-29
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 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
Descriptor: 3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine, Acetylcholine-binding protein
Authors:Bobango, J, Bryant, D, Denton, T.T, Talley, T.T.
Deposit date:2015-05-11
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-guided design and analysis of arylidene anabaseines and myosmines
To be Published
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)
Descriptor: 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'
Authors:Lin, C.
Deposit date:2013-10-30
Release date:2014-04-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
4IAG
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BU of 4iag by Molmil
Crystal structure of ZbmA, the zorbamycin binding protein from Streptomyces flavoviridis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein
Authors: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)
Deposit date:2012-12-06
Release date:2013-02-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
7WSO
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BU of 7wso by Molmil
Structure of a membrane protein G
Descriptor: B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, Immunoglobulin heavy constant gamma 1
Authors:Ma, X, Zhu, Y, Chen, Y, Huang, Z.
Deposit date:2022-01-30
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Cryo-EM structures of two human B cell receptor isotypes.
Science, 377, 2022
7CRN
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BU of 7crn by Molmil
The Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization
Descriptor: Non-ribosomal peptide synthetase 4
Authors:Yu, J.H, Song, J, Chi, C.B, Ma, M.
Deposit date:2020-08-14
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021
7DMN
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BU of 7dmn by Molmil
Crystal structure of two pericyclases catalyzing [4+2] cycloaddition
Descriptor: Diels-Alderase fsa2, GLYCEROL
Authors:Chi, C.B, Wang, Z.D, Liu, T, Zhang, Z.Y, Ma, M.
Deposit date:2020-12-04
Release date:2021-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
7E4M
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BU of 7e4m by Molmil
Class I Pimarane-Type Diterpene Synthases Stt4548
Descriptor: Stt4548
Authors:Yu, J.H, Xing, B.Y, Ma, M.
Deposit date:2021-02-14
Release date:2021-10-06
Last modified:2022-04-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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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BU of 7e4o by Molmil
Class I Pimarane-Type Diterpene Synthases from Actinomycetes
Descriptor: Sat1646
Authors:Yu, J.H, Xing, B.Y, Ma, M.
Deposit date:2021-02-14
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 7e4n by Molmil
Crystal structure of Sat1646
Descriptor: MAGNESIUM ION, Sat1646
Authors:Yu, J.H, Xing, B.Y, Ma, M.
Deposit date:2021-02-14
Release date:2021-10-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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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BU of 7eib by Molmil
Cryo-EM structure of the type 1 bradykinin receptor in complex with the des-Arg10-kallidin and an Gq protein
Descriptor: B1 bradykinin receptor, G subunit q (Gi1-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yin, Y, Jiang, Y.
Deposit date:2021-03-30
Release date:2021-10-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for kinin selectivity and activation of the human bradykinin receptors.
Nat.Struct.Mol.Biol., 28, 2021
7XH2
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BU of 7xh2 by Molmil
Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein sfcH
Authors:Ma, X, Shao, N, Ma, M, Tang, G.
Deposit date:2022-04-07
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis.
Acta Pharm Sin B, 13, 2023
7XP7
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BU of 7xp7 by Molmil
Crystal Structure of the Flavoprotein ColB1 Catalyzing Assembly Line-Tethered Cysteine Dehydrogenation
Descriptor: Cyclohexanecarboxyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Ma, X.Y, Tang, Z.J, Liu, W, Ma, M.
Deposit date:2022-05-03
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Mechanistic Insights into ColB1, a Flavoprotein Functioning in-trans in the 2,2'-Bipyridine Assembly Line for Cysteine Dehydrogenation.
Acs Chem.Biol., 18, 2023
7DWS
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BU of 7dws by Molmil
The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions
Descriptor: Endolysin, ZINC ION
Authors:Chen, X, Chen, S.
Deposit date:2021-01-17
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally designed protein cross-linked hydrogel for bone regeneration via synergistic release of magnesium and zinc ions.
Biomaterials, 274, 2021
7XT6
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BU of 7xt6 by Molmil
Structure of a membrane protein M3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, ...
Authors:Ma, X, Zhu, Y, Chen, Y, Huang, Z.
Deposit date:2022-05-16
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Cryo-EM structures of two human B cell receptor isotypes.
Science, 377, 2022
7Y50
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BU of 7y50 by Molmil
Class I diterpene synthase (CyS) from Streptomyces cattleya
Descriptor: Putative glutamate dehydrogenase/leucine dehydrogenase
Authors:Xing, B, Ma, M.
Deposit date:2022-06-16
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes.
Angew.Chem.Int.Ed.Engl., 61, 2022
7Y87
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BU of 7y87 by Molmil
class I diterpene synthase mutant (CyS-C59A) from Streptomyces cattleya
Descriptor: Putative glutamate dehydrogenase/leucine dehydrogenase
Authors:Xing, B, Ma, M.
Deposit date:2022-06-23
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes.
Angew.Chem.Int.Ed.Engl., 61, 2022

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