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1K4W
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BU of 1k4w by Molmil
X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation
Descriptor: Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1
Authors:Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P.
Deposit date:2001-10-09
Release date:2002-04-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation.
EMBO J., 20, 2001
8HUS
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BU of 8hus by Molmil
Crystal structure of SARS main protease in complex with S217622
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUT
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BU of 8hut by Molmil
Crystal structure of MERS main protease in complex with S217622
Descriptor: 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8IG5
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BU of 8ig5 by Molmil
Crystal structure of SARS main protease in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG6
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BU of 8ig6 by Molmil
Crystal structure of MERS main protease in complex with GC376
Descriptor: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
6CCW
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BU of 6ccw by Molmil
Hybrid-2 form Human Telomeric G Quadruplex in Complex with Epiberberine
Descriptor: DNA (26-MER), Epiberberine
Authors:Lin, C, Yang, D.Z.
Deposit date:2018-02-07
Release date:2018-06-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Recognition of the Hybrid-2 Human Telomeric G-Quadruplex by Epiberberine: Insights into Conversion of Telomeric G-Quadruplex Structures.
Angew. Chem. Int. Ed. Engl., 57, 2018
8WVW
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BU of 8wvw by Molmil
Cryo-EM structure of LGR4 in state II
Descriptor: Leucine-rich repeat-containing G-protein coupled receptor 4
Authors:Lin, C, Chang, Z.
Deposit date:2023-10-24
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Cryo-EM structure of LGR4 in state I
To Be Published
8WVY
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BU of 8wvy by Molmil
Cryo-EM structure of LGR4 in complex with Norrin
Descriptor: Leucine-rich repeat-containing G-protein coupled receptor 4, Norrin
Authors:Lin, C, Chang, Z.
Deposit date:2023-10-24
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cryo-EM structure of LGR4 in complex with Norrin
To Be Published
8WVV
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BU of 8wvv by Molmil
Cryo-EM structure of LGR4 in state I
Descriptor: Leucine-rich repeat-containing G-protein coupled receptor 4
Authors:Lin, C, Chang, Z.
Deposit date:2023-10-24
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Cryo-EM structure of LGR4 in state I
To Be Published
7WQI
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BU of 7wqi by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-01-25
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of SARS coronavirus main protease in complex with PF07304814
To Be Published
5OYG
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BU of 5oyg by Molmil
Structure of calcium-free mTMEM16A chloride channel at 4.06 A resolution
Descriptor: Anoctamin-1
Authors:Paulino, C, Kalienkova, V, Lam, K.M, Neldner, Y, Dutzler, R.
Deposit date:2017-09-08
Release date:2017-12-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.06 Å)
Cite:Activation mechanism of the calcium-activated chloride channel TMEM16A revealed by cryo-EM.
Nature, 552, 2017
2MG8
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BU of 2mg8 by Molmil
Solution structure of TFF1 Estrogen Response Element complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
Descriptor: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*GP*GP*TP*CP*AP*CP*GP*GP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*CP*CP*GP*TP*GP*AP*CP*CP*T)-3'
Authors:Lin, C.
Deposit date:2013-10-30
Release date:2014-04-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator.
Nucleic Acids Res., 42, 2014
4QR6
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BU of 4qr6 by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure (2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-fluoro-phenoxy]acetic acid) at 1.05 A
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-06-30
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
4RPQ
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BU of 4rpq by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure at 1.20 A (1)
Descriptor: ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-10-31
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Aldose Reductase: IDD ligands under investigation
To be Published
3KLQ
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BU of 3klq by Molmil
Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S
Descriptor: GLYCEROL, Putative pilus anchoring protein
Authors:Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N.
Deposit date:2009-11-08
Release date:2010-04-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring
J.Biol.Chem., 285, 2010
8TR9
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BU of 8tr9 by Molmil
Cryo-EM structure of transglutaminase 2 bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Protein-glutamine gamma-glutamyltransferase 2
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-08-09
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational activation and inhibition of transglutaminase 2 determined by static and time resolved small-angle X-ray scattering and cryoelectron microscopy
To Be Published
4YS1
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BU of 4ys1 by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A.
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-16
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
ACS Chem. Biol., 12, 2017
5NL2
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BU of 5nl2 by Molmil
cryo-EM structure of the mTMEM16A ion channel at 6.6 A resolution.
Descriptor: Anoctamin-1
Authors:Paulino, C, Neldner, Y, Lam, K.M, Kalienkova, V, Brunner, J.D, Schenck, S, Dutzler, R.
Deposit date:2017-04-03
Release date:2017-06-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structural basis for anion conduction in the calcium-activated chloride channel TMEM16A.
Elife, 6, 2017
5OYB
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BU of 5oyb by Molmil
Structure of calcium-bound mTMEM16A chloride channel at 3.75 A resolution
Descriptor: Anoctamin-1, CALCIUM ION
Authors:Paulino, C, Kalienkova, V, Lam, K.M, Neldner, Y, Dutzler, R.
Deposit date:2017-09-08
Release date:2017-12-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Activation mechanism of the calcium-activated chloride channel TMEM16A revealed by cryo-EM.
Nature, 552, 2017
4YU1
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BU of 4yu1 by Molmil
Human Aldose Reductase complexed with Schl12134 (3-[5-(3-nitrophenyl)-2-thienyl]propanoic acid) at 1.02 A
Descriptor: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-18
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To Be Published
8ULG
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BU of 8ulg by Molmil
Cryo-EM structure of bovine phosphodiesterase 6 bound to IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-10-16
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
8UGB
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BU of 8ugb by Molmil
Cryo-EM structure of bovine phosphodiesterase 6 bound to udenafil
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-10-05
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
8UFI
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BU of 8ufi by Molmil
Cryo-EM structure of bovine phosphodiesterase 6
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-10-04
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
8UGS
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BU of 8ugs by Molmil
Cryo-EM structure of bovine phosphodiesterase 6 bound to cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-10-06
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
4ES8
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BU of 4es8 by Molmil
Crystal Structure of the adhesin domain of Epf from Streptococcus pyogenes in P212121
Descriptor: ACETATE ION, Epf, GLYCEROL, ...
Authors:Linke, C, Siemens, N, Kreikemeyer, B, Baker, E.N.
Deposit date:2012-04-23
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Extracellular Protein Factor Epf from Streptococcus pyogenes Is a Cell Surface Adhesin That Binds to Cells through an N-terminal Domain Containing a Carbohydrate-binding Module.
J.Biol.Chem., 287, 2012

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数据于2024-11-06公开中

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