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6KNV
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BU of 6knv by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KKE
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BU of 6kke by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-07-25
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.577 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KKB
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BU of 6kkb by Molmil
A novel agonist of THRb
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-07-24
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
7CYV
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BU of 7cyv by Molmil
Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD)
Descriptor: Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D.
Deposit date:2020-09-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
6KNU
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BU of 6knu by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
7DO1
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BU of 7do1 by Molmil
Solution structure of a heteromolecular telomeric (3+1) G-quadruplex containing right loop progression
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*G)-3')
Authors:Fu, W.Q, Jing, H.T, Zhang, N.
Deposit date:2020-12-11
Release date:2021-09-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T.
Nucleic Acids Res., 49, 2021
6M05
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BU of 6m05 by Molmil
Trimolecular G-quadruplex
Descriptor: DNA (5'-D(*GP*TP*TP*AP*GP*G)-3')
Authors:Jing, H.T, Fu, W.Q, Zhang, N.
Deposit date:2020-02-20
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structural study on the self-trimerization of d(GTTAGG) into a dynamic trimolecular G-quadruplex assembly preferentially in Na+ solution with a moderate K+ tolerance.
Nucleic Acids Res., 49, 2021
7WK4
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BU of 7wk4 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein with ACE2, C1 state
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Han, W.Y, Wang, Y.F.
Deposit date:2022-01-08
Release date:2022-02-02
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron
Nature, 604, 2022
7WKA
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BU of 7wka by Molmil
SARS-CoV-2 Omicron closed state spike protein in complex with S3H3 Fab
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Hong, Q, Cong, Y.
Deposit date:2022-01-08
Release date:2022-01-26
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK6
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BU of 7wk6 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein with human ACE2 (focus refinement on RBD-1/ACE2)
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Han, W.Y, Wang, Y.F.
Deposit date:2022-01-08
Release date:2022-02-02
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron
Nature, 604, 2022
7WK8
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BU of 7wk8 by Molmil
SARS-CoV-2 Omicron spike protein SD1 in complex with S3H3 Fab
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Hong, Q, Cong, Y.
Deposit date:2022-01-08
Release date:2022-01-26
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK2
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BU of 7wk2 by Molmil
SARS-CoV-2 Omicron S-close
Descriptor: Spike glycoprotein
Authors:Li, J.W, Cong, Y.
Deposit date:2022-01-08
Release date:2022-01-26
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK9
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BU of 7wk9 by Molmil
SARS-CoV-2 Omicron open state spike protein in complex with S3H3 Fab
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Hong, Q, Cong, Y.
Deposit date:2022-01-08
Release date:2022-02-02
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WVO
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BU of 7wvo by Molmil
SARS-CoV-2 Omicron S-open-2
Descriptor: Spike glycoprotein
Authors:Li, J.W, Cong, Y.
Deposit date:2022-02-10
Release date:2022-03-02
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WVN
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BU of 7wvn by Molmil
SARS-CoV-2 Omicron S-open
Descriptor: Spike glycoprotein
Authors:Li, J.W, Cong, Y.
Deposit date:2022-02-10
Release date:2022-03-02
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
2FJP
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BU of 2fjp by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ...
Authors:Scapin, G, Patel, S.B, Becker, J.W.
Deposit date:2006-01-03
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
4M5E
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BU of 4m5e by Molmil
Tse3 structure
Descriptor: CADMIUM ION, CALCIUM ION, GLYCEROL, ...
Authors:Qian, Y.
Deposit date:2013-08-08
Release date:2014-04-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
3HAC
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BU of 3hac by Molmil
The structure of DPP-4 in complex with piperidine fused imidazopyridine 34
Descriptor: (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2009-05-01
Release date:2009-07-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3HAB
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BU of 3hab by Molmil
The structure of DPP4 in complex with piperidine fused benzimidazole 25
Descriptor: (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2009-05-01
Release date:2009-07-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
4M5F
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BU of 4m5f by Molmil
complex structure of Tse3-Tsi3
Descriptor: CALCIUM ION, PHOSPHATE ION, Uncharacterized protein
Authors:Gu, L.C.
Deposit date:2013-08-08
Release date:2014-04-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
5CSD
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BU of 5csd by Molmil
Ligand binding domain 2 of Penicillium marneffei MP1 protein in complex with arachidonic acids
Descriptor: ARACHIDONIC ACID, Envelope glycoprotein, GLYCEROL
Authors:Lam, W.H, Zhang, H, Hao, Q.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Talaromyces marneffei Mp1p Is a Virulence Factor that Binds and Sequesters a Key Proinflammatory Lipid to Dampen Host Innate Immune Response
Cell Chem Biol, 24, 2017
5Z12
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BU of 5z12 by Molmil
A structure of FXR/RXR
Descriptor: (9cis)-retinoic acid, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor, ...
Authors:Lu, Y, Li, Y.
Deposit date:2017-12-23
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR
J. Biol. Chem., 293, 2018
7Y4I
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BU of 7y4i by Molmil
Crystal structure of SPINDLY in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY
Authors:Xu, S.T, Wan, L.H.
Deposit date:2022-06-14
Release date:2022-12-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights into mechanism and specificity of the plant protein O-fucosyltransferase SPINDLY.
Nat Commun, 13, 2022
4N7S
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BU of 4n7s by Molmil
Crystal structure of Tse3-Tsi3 complex with Zinc ion
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Shang, G.J.
Deposit date:2013-10-16
Release date:2014-04-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
4N88
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BU of 4n88 by Molmil
Crystal structure of Tse3-Tsi3 complex with calcium ion
Descriptor: CALCIUM ION, Uncharacterized protein
Authors:Shang, G.J.
Deposit date:2013-10-17
Release date:2014-04-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014

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