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9IQF
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BU of 9iqf by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 (peptidisc) state (ADP 4degrees C treated)
Descriptor: ABC transporter transmembrane region, ABC transporter, ATP-binding protein, ...
Authors:Lan, Y, Li, J.
Deposit date:2024-07-12
Release date:2025-05-14
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
9IQG
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BU of 9iqg by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ATP|ADP+Vi-bound Occ (Vi) state
Descriptor: ABC transporter transmembrane region, ABC transporter, ATP-binding protein, ...
Authors:Lan, Y, Yu, J, Li, J.
Deposit date:2024-07-12
Release date:2025-05-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
9IID
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BU of 9iid by Molmil
Crystal structure of PgAfp
Descriptor: Antifungal protein B
Authors:Wang, Y.
Deposit date:2024-06-20
Release date:2024-07-10
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The role of Npt1 in regulating antifungal protein activity in filamentous fungi.
Nat Commun, 16, 2025
9J0K
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BU of 9j0k by Molmil
An agonist(compound 14e)of Thyroid Hormone Receptor B
Descriptor: 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B, Li, Y.
Deposit date:2024-08-02
Release date:2025-07-02
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 68, 2025
9IX5
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BU of 9ix5 by Molmil
An agonist(compound 15n) of Thyroid Hormone Receptor B
Descriptor: 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B, Li, Y.
Deposit date:2024-07-26
Release date:2025-07-02
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 68, 2025
9LGW
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BU of 9lgw by Molmil
Cryo-EM structure of SiAgo-Aga1 complex
Descriptor: Piwi domain-containing protein, SiAgo-associated protein1, SiAga1
Authors:Dai, Z.K, Guan, Z.Y, Zou, T.T.
Deposit date:2025-01-10
Release date:2025-02-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural and mechanistic insights into the activation of a short prokaryotic argonaute system from archaeon Sulfolobus islandicus.
Nucleic Acids Res., 53, 2025
9KR5
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BU of 9kr5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with compound 3
Descriptor: (6~{E})-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-[5-[(3~{S})-oxolan-3-yl]oxypyridin-3-yl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazinane-2,4-dione, 3C-like proteinase nsp5
Authors:Zhong, Y, Zhao, L, Zhang, W, Peng, W.
Deposit date:2024-11-27
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
9KSK
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BU of 9ksk by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with compound 10
Descriptor: 3C-like proteinase, 4-[4-chloranyl-2-[[(6E)-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-(5-methylpyridin-3-yl)-2,4-bis(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]-5-fluoranyl-phenoxy]-2-fluoranyl-benzenecarbonitrile
Authors:Zhong, Y, Zhao, L, Zhang, W, Peng, W.
Deposit date:2024-11-29
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
9KSI
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BU of 9ksi by Molmil
Crystal Structure of SARS-CoV-2 main protease in complex with compound 5
Descriptor: (6E)-1-[[5-chloranyl-4-fluoranyl-2-(4-fluoranylphenoxy)phenyl]methyl]-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-(5-methoxypyridin-3-yl)-1,3,5-triazinane-2,4-dione, 3C-like proteinase nsp5
Authors:Zhong, Y, Zhao, L, Zhang, W, Peng, W.
Deposit date:2024-11-29
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
9KSH
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BU of 9ksh by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with compound 1
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-pyridin-3-yl-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Zhong, Y, Zhao, L, Zhang, W, Peng, W.
Deposit date:2024-11-29
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
9KSJ
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BU of 9ksj by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with compound 8
Descriptor: 3-[[(6E)-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-[5-(2-methoxyethoxy)pyridin-3-yl]-2,4-bis(oxidanylidene)-1,3,5-triazinan-1-yl]methyl]-4-methyl-benzenecarbonitrile, 3C-like proteinase nsp5
Authors:Zhong, Y, Zhao, L, Zhang, W, Peng, W.
Deposit date:2024-11-29
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Expanding the utilization of binding pockets proves to be effective for noncovalent small molecule inhibitors against SARS-CoV-2 M pro.
Eur.J.Med.Chem., 289, 2025
6UIN
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BU of 6uin by Molmil
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*NP*NP*NP*NP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
Authors:Paul, D, Min, J.-H.
Deposit date:2019-10-01
Release date:2020-10-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.348 Å)
Cite:Tethering-facilitated DNA 'opening' and complementary roles of beta-hairpin motifs in the Rad4/XPC DNA damage sensor protein
Nucleic Acids Res., 48, 2021
3MJG
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BU of 3mjg by Molmil
The structure of a platelet derived growth factor receptor complex
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-type platelet-derived growth factor receptor, ...
Authors:Shim, A.H.R, He, X.
Deposit date:2010-04-12
Release date:2010-06-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of a platelet-derived growth factor/propeptide complex and a platelet-derived growth factor/receptor complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MJK
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BU of 3mjk by Molmil
Structure of a growth factor precursor
Descriptor: Platelet-derived growth factor subunit A
Authors:Liu, H, He, X.
Deposit date:2010-04-12
Release date:2010-06-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of a platelet-derived growth factor/propeptide complex and a platelet-derived growth factor/receptor complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
6X3K
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BU of 6x3k by Molmil
Hsa Siglec and Unique domains in complex with 6S-sialy-Lewisx
Descriptor: N-acetyl-alpha-neuraminic acid, SODIUM ION, Streptococcal hemagglutinin, ...
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-05-21
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
8IQY
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BU of 8iqy by Molmil
Asterias forbesii ferritin mutant-P156H
Descriptor: Ferritin
Authors:Zhao, G, Zhang, C, Zang, J, Zhang, T.
Deposit date:2023-03-17
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Preparation and Unique Three-Dimensional Self-Assembly Property of Starfish Ferritin.
Foods, 12, 2023
8IQV
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BU of 8iqv by Molmil
Asterias forbesii ferritin
Descriptor: Ferritin
Authors:Zhao, G, Zhang, C, Zang, J, Zhang, T.
Deposit date:2023-03-17
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Preparation and Unique Three-Dimensional Self-Assembly Property of Starfish Ferritin.
Foods, 12, 2023
8IQW
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BU of 8iqw by Molmil
AfFer(Asterias forbesii ferritin) mutant-P156H
Descriptor: Ferritin
Authors:Zhao, G, Zhang, C, Zang, J, Zhang, T.
Deposit date:2023-03-17
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preparation and Unique Three-Dimensional Self-Assembly Property of Starfish Ferritin.
Foods, 12, 2023
8IQZ
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BU of 8iqz by Molmil
Asterias forbesii ferritin mutant-P156F
Descriptor: Ferritin
Authors:Zhao, G, Zhang, C, Zang, J, Zhang, T.
Deposit date:2023-03-17
Release date:2024-02-21
Method:X-RAY DIFFRACTION (4.19 Å)
Cite:Preparation and Unique Three-Dimensional Self-Assembly Property of Starfish Ferritin.
Foods, 12, 2023
6X3Q
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BU of 6x3q by Molmil
Hsa Siglec and Unique domains in complex with 3'sialyl-N-acetyllactosamine trisaccharide
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Streptococcal hemagglutinin
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-05-21
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
8J1H
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BU of 8j1h by Molmil
Agonist1 and Ruthenium Red bound state of mTRPV4
Descriptor: 8-fluoranyl-3-[4-(4-fluoranylphenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one, Transient receptor potential cation channel subfamily V member 4
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-04-12
Release date:2023-08-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
6XUN
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BU of 6xun by Molmil
Ab 5b1 bound to CA19-9
Descriptor: GLYCEROL, Heavy chain, Light chain, ...
Authors:Diskin, R, Borenstein-Katz, A.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
8J1F
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BU of 8j1f by Molmil
GSK101 bound state of mTRPV4
Descriptor: N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-04-12
Release date:2023-08-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
8J1B
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BU of 8j1b by Molmil
GSK101 and Ruthenium Red bound state of mTRPV4
Descriptor: N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-04-12
Release date:2023-08-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
8J1D
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BU of 8j1d by Molmil
Cryo-EM structure of apo state mTRPV4
Descriptor: Transient receptor potential cation channel subfamily V member 4
Authors:Zhen, W.X, Yang, F.
Deposit date:2023-04-12
Release date:2023-08-09
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023

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數據於2025-07-23公開中

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