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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
1BM5
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BU of 1bm5 by Molmil
THE SOLUTION STRUCTURE OF A SITE-DIRECTED MUTANT (R111M) OF HUMAN CELLULAR RETIONIC ACID BINDING PROTEIN-TYPE II, NMR, 31 STRUCTURES
Descriptor: CELLULAR RETINOIC ACID BINDING PROTEIN-TYPE II
Authors:Wang, H, Yan, H.
Deposit date:1998-07-28
Release date:1999-01-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR study suggests a major role for Arg111 in maintaining the structure and dynamical properties of type II human cellular retinoic acid binding protein.
Biochemistry, 37, 1998
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
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
7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
Descriptor: Xylanase
Authors:Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
Deposit date:2021-01-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
7WTI
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BU of 7wti by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv264
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.8 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
7WTF
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BU of 7wtf by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv051
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 XGv051, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (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
7WTG
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BU of 7wtg by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051
Descriptor: Heavy chain of XGv051, Light chain of XGv051, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.8 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
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
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
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
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
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
7CBZ
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BU of 7cbz by Molmil
Crystal structure of T2R-TTL-A31 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ...
Authors:Yang, J.H, Yan, W.
Deposit date:2020-06-15
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
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
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
7NWK
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BU of 7nwk by Molmil
Crystal structure of CDK9-Cyclin T1 bound by compound 6
Descriptor: Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide
Authors:Collie, G.W, Ferguson, A.D.
Deposit date:2021-03-16
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
3UEM
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BU of 3uem by Molmil
Crystal structure of human PDI bb'a' domains
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Protein disulfide-isomerase
Authors:Yu, J, Wang, C, Huo, L, Feng, W, Wang, C.-C.
Deposit date:2011-10-30
Release date:2011-11-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Human protein-disulfide isomerase is a redox-regulated chaperone activated by oxidation of domain a'
J.Biol.Chem., 287, 2012
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
Descriptor: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
Authors:Yun, C.H, Zhang, S.
Deposit date:2016-04-07
Release date:2017-04-19
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
8WRM
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BU of 8wrm by Molmil
XBB.1.5 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-12-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRH
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BU of 8wrh by Molmil
SARS-CoV-2 XBB.1.5.70 in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-14
Release date:2023-11-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRO
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BU of 8wro by Molmil
XBB.1.5.10 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein,Spike glycoprotein,Spike glycoprotein,Fusion protein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-12-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTJ
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BU of 8wtj by Molmil
XBB.1.5.70 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023

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