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2OJU
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BU of 2oju by Molmil
X-ray structure of complex of human cyclophilin J with cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3
Authors:Xia, Z, Huang, L.
Deposit date:2007-01-14
Release date:2008-01-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
6IYO
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BU of 6iyo by Molmil
Crystal Structure of the acyltransferase domain from the second module of the salinomycin polyketide synthase
Descriptor: Type I modular polyketide synthase
Authors:Zhang, F, Zheng, J.
Deposit date:2018-12-17
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
6IYT
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BU of 6iyt by Molmil
Crystal Structure of the acyltransferase domain from second module 14 of salinomycin polyketide synthase
Descriptor: Type I modular polyketide synthase
Authors:Zhang, F, Zheng, J.
Deposit date:2018-12-17
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
6IYR
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BU of 6iyr by Molmil
Crystal Structure of the acyltransferase domain from module 8 of the salinomycin polyketide synthase
Descriptor: PHOSPHATE ION, Type I modular polyketide synthase
Authors:Zhang, F, Zheng, J.
Deposit date:2018-12-17
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
Descriptor: BA7054 fab, BA7125 fab, Spike glycoprotein
Authors:Liu, Z, Liu, S.
Deposit date:2022-03-26
Release date:2023-03-01
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ...
Authors:Liu, Z, Lui, S, Gao, Y.
Deposit date:2022-03-27
Release date:2023-03-01
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ...
Authors:Liu, Z, Liu, S, Gao, Y.Z.
Deposit date:2022-03-26
Release date:2023-03-01
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
Descriptor: BA7125 fab, BA7208 fab, Spike glycoprotein
Authors:Liu, Z, Liu, S, Liu, S.
Deposit date:2022-03-26
Release date:2023-03-01
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDL
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BU of 7xdl by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ...
Authors:Liu, Z, Liu, S, Yuanzhu, G.
Deposit date:2022-03-27
Release date:2023-03-15
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
6M7L
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BU of 6m7l by Molmil
Complex of OxyA with the X-domain from GPA biosynthesis
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase
Authors:Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J.
Deposit date:2018-08-20
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.648297 Å)
Cite:Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
2KIA
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BU of 2kia by Molmil
Solution structure of Myosin VI C-terminal cargo-binding domain
Descriptor: Myosin-VI
Authors:Feng, W, Yu, C, Wei, Z, Miyanoiri, Y, Zhang, M.
Deposit date:2009-04-29
Release date:2009-09-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Myosin VI undergoes cargo-mediated dimerization
Cell(Cambridge,Mass.), 138, 2009
7YOJ
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BU of 7yoj by Molmil
Structure of CasPi with guide RNA and target DNA
Descriptor: CasPi, DNA (30-MER), DNA (5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*CP*CP*AP*G)-3'), ...
Authors:Li, C.P, Wang, J, Liu, J.J.
Deposit date:2022-08-01
Release date:2023-02-15
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:The compact Cas pi (Cas12l) 'bracelet' provides a unique structural platform for DNA manipulation.
Cell Res., 33, 2023
7YRV
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BU of 7yrv by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for FGFR1
Descriptor: LF1
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
7YRW
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BU of 7yrw by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for HER2
Descriptor: LH2
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
7YRX
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BU of 7yrx by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for HER3
Descriptor: LH3
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-11
Release date:2023-08-16
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
5GTM
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BU of 5gtm by Molmil
Modified human MxA, nucleotide-free form
Descriptor: Interferon-induced GTP-binding protein Mx1
Authors:Chen, Y, Gao, S.
Deposit date:2016-08-22
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Conformational dynamics of dynamin-like MxA revealed by single-molecule FRET
Nat Commun, 8, 2017
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
Descriptor: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-01-04
Release date:2016-03-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
7KHL
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BU of 7khl by Molmil
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
Descriptor: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
Authors:Murray, J.M.
Deposit date:2020-10-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.286 Å)
Cite:Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
Descriptor: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
Authors:Murray, J.M.
Deposit date:2020-10-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
8JSX
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BU of 8jsx by Molmil
VMAT2 complex with noradrenaline in lumen-facing state
Descriptor: Noradrenaline, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-20
Release date:2024-05-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8JTB
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BU of 8jtb by Molmil
VMAT2 complex with dopamine
Descriptor: L-DOPAMINE, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2024-05-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8JT5
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BU of 8jt5 by Molmil
VMAT2 complex with histamine
Descriptor: HISTAMINE, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2024-05-08
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8JSW
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BU of 8jsw by Molmil
Human VMAT2 complex with serotonin
Descriptor: SEROTONIN, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-20
Release date:2023-11-29
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTC
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BU of 8jtc by Molmil
Human VMAT2 complex with reserpine
Descriptor: Synaptic vesicular amine transporter, reserpine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JT9
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BU of 8jt9 by Molmil
Human VMAT2 complex with ketanserin
Descriptor: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024

239149

數據於2025-07-23公開中

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