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7WTH
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BU of 7wth by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264
Descriptor: Heavy chain of XGv264, Light chain of XGv264, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTK
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BU of 7wtk by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv286
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv286, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTJ
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BU of 7wtj by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286
Descriptor: Heavy chain of XGv286, Light chain of XGv286, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
8H8I
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BU of 8h8i by Molmil
Triterpenoid saponin acetyltransferase, AmAT7-3
Descriptor: AmAT7-3, Astragaloside IV
Authors:Wang, L.L.
Deposit date:2022-10-22
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
8HBT
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BU of 8hbt by Molmil
AmAT7-3 mutant A310G
Descriptor: AmAT7-3-A310G, Astragaloside IV
Authors:Wang, L.L.
Deposit date:2022-10-31
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus.
Nat Commun, 14, 2023
6UY0
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BU of 6uy0 by Molmil
Cryo-EM structure of wild-type bovine multidrug resistance protein 1 (MRP1) under active turnover conditions
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
Authors:Johnson, Z.L, Chen, J.
Deposit date:2019-11-09
Release date:2020-06-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Characterization of the kinetic cycle of an ABC transporter by single-molecule and cryo-EM analyses.
Elife, 9, 2020
6EGE
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BU of 6ege by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
Authors:Ferrao, R, Liu, Q, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EGF
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BU of 6egf by Molmil
Crystal structure of the inactive unphosphorylated IRAK4 kinase domain bound to AMP-PNP
Descriptor: Interleukin-1 receptor-associated kinase 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ferrao, R, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EGD
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BU of 6egd by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
Authors:Ferrao, R, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
8JPX
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BU of 8jpx by Molmil
Cryo-EM structure of PfAgo-guide DNA-target DNA complex
Descriptor: Excess DNA, Guide DNA, MAGNESIUM ION, ...
Authors:Zhuang, L.
Deposit date:2023-06-13
Release date:2024-01-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
3DBZ
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BU of 3dbz by Molmil
human surfactant protein D
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Pulmonary surfactant-associated protein D
Authors:Head, J.F.
Deposit date:2008-06-02
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of recombinant surfactant protein D with lipopolysaccharide: conformation and orientation of bound protein by IRRAS and simulations.
Biochemistry, 47, 2008
3OQ9
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BU of 3oq9 by Molmil
Structure of the FAS/FADD death domain assembly
Descriptor: Protein FADD, Tumor necrosis factor receptor superfamily member 6
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2010-09-02
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6.8 Å)
Cite:The Fas-FADD death domain complex structure reveals the basis of DISC assembly and disease mutations.
Nat.Struct.Mol.Biol., 17, 2010
4J6O
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BU of 4j6o by Molmil
Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP
Descriptor: CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ...
Authors:Wang, L, Smith, P, Shuman, S.
Deposit date:2013-02-11
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system.
Nucleic Acids Res., 41, 2013
6L5T
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BU of 6l5t by Molmil
The crystal structure of SADS-CoV Papain Like protease
Descriptor: Peptidase C16, ZINC ION
Authors:Fan, C.P.
Deposit date:2019-10-24
Release date:2020-04-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural and biochemical characterization of SADS-CoV papain-like protease 2.
Protein Sci., 29, 2020
7YF1
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BU of 7yf1 by Molmil
Structure of FABP at 1.7 Angstroms resolution.
Descriptor: Fatty acid-binding protein, heart, PALMITIC ACID
Authors:Liu, Y.h, Wang, L.l.
Deposit date:2022-07-07
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into Mouse H-FABP.
Life, 12, 2022
4U0L
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BU of 4u0l by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D131A-D133A
Descriptor: Cyclic AMP-GMP synthase
Authors:Xiang, Y, Zhu, D.Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U0N
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BU of 4u0n by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) deletion mutant D-loop
Descriptor: Cyclic AMP-GMP synthase, MAGNESIUM ION, N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid
Authors:Xiang, Y, Zhu, D.Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U03
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BU of 4u03 by Molmil
Structure of the vibrio cholerae di-nucleotide cyclase (DncV) in complex with GTP and 5MTHFGLU2
Descriptor: Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhu, D.Y, Xiang, Y.
Deposit date:2014-07-11
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U0M
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BU of 4u0m by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D193N in complex with ATP, GTP and 5MTHFGLU2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, D, Xiang, Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4TUH
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BU of 4tuh by Molmil
Bcl-xL in complex with inhibitor (Compound 10)
Descriptor: 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ...
Authors:Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M.
Deposit date:2014-06-24
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
6XF6
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BU of 6xf6 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6XF5
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BU of 6xf5 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
Descriptor: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
Authors:Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
Deposit date:2020-04-11
Release date:2021-02-17
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 2024

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數據於2024-05-15公開中

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