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5C20
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BU of 5c20 by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 2
Descriptor: 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1U
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BU of 5c1u by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound Xb
Descriptor: (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1X
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BU of 5c1x by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
Descriptor: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
6DKJ
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BU of 6dkj by Molmil
human GIPR ECD and Fab complex
Descriptor: 1,2-ETHANEDIOL, Fab heavy chain, Fab light chain, ...
Authors:Min, X, Wang, Z.
Deposit date:2018-05-29
Release date:2019-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anti-obesity effects of GIPR antagonists alone and in combination with GLP-1R agonists in preclinical models.
Sci Transl Med, 10, 2018
2YHI
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BU of 2yhi by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor WH16
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P.
Deposit date:2011-05-03
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
5C1Y
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BU of 5c1y by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 1
Descriptor: 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
2YHU
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BU of 2yhu by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor WHF30
Descriptor: 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P.
Deposit date:2011-05-06
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
5JQ2
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BU of 5jq2 by Molmil
Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with N-palmitoylglycine
Descriptor: N-PALMITOYLGLYCINE, P450 BM3 L407C heme domain mutant, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kloos, M.
Deposit date:2016-05-04
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies.
Biochim.Biophys.Acta, 1864, 2016
5JTD
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BU of 5jtd by Molmil
Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with DMSO.
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kloos, M.
Deposit date:2016-05-09
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies.
Biochim.Biophys.Acta, 1864, 2016
7MB9
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BU of 7mb9 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)
Descriptor: 3C-like proteinase, ARG-GLU-PRO-MET-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB4
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BU of 7mb4 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp4/5 (P6-P1)
Descriptor: 3C-like proteinase, THR-SER-ALA-VAL-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB7
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BU of 7mb7 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)
Descriptor: 3C-like proteinase, ASN-ARG-ALA-THR-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB8
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BU of 7mb8 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (P6-P1)
Descriptor: 3C-like proteinase, SER-ALA-VAL-LYS-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB5
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BU of 7mb5 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp5/6 (P6-P1)
Descriptor: 3C-like proteinase, SER-GLY-VAL-THR-PHE-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB6
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BU of 7mb6 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1)
Descriptor: 3C-like proteinase, LYS-VAL-ALA-THR-VAL-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
2REU
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BU of 2reu by Molmil
Crystal Structure of the C-terminal of Sau3AI fragment
Descriptor: MAGNESIUM ION, Type II restriction enzyme Sau3AI
Authors:Hu, X, Yu, F, Xu, C, He, J.
Deposit date:2007-09-27
Release date:2008-09-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and function of C-terminal Sau3AI domain
Biochim.Biophys.Acta, 1794, 2009
7Z60
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BU of 7z60 by Molmil
Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside
Descriptor: 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ...
Authors:Ciccone, L, Braca, A, Orlandini, E, Nencetti, S.
Deposit date:2022-03-10
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization
Crystals, 12, 2022
7EN0
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BU of 7en0 by Molmil
Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves
Descriptor: DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE
Authors:Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y.
Deposit date:2021-04-15
Release date:2021-05-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and activity of SLAC1 channels for stomatal signaling in leaves.
Proc.Natl.Acad.Sci.USA, 118, 2021
2C0N
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BU of 2c0n by Molmil
Crystal Structure of A197 from STIV
Descriptor: 1,4-DIETHYLENE DIOXIDE, A197, NICKEL (II) ION, ...
Authors:Larson, E.T, Reiter, D, Young, M, Lawrence, C.M.
Deposit date:2005-09-06
Release date:2005-09-29
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of A197 from Sulfolobus Turreted Icosahedral Virus: A Crenarchaeal Viral Glycosyltransferase Exhibiting the Gt-A Fold.
J.Virol., 80, 2006
2CO5
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BU of 2co5 by Molmil
F93 FROM STIV, a winged-helix DNA-binding protein
Descriptor: VIRAL PROTEIN F93
Authors:Larson, E.T, Reiter, D, Lawrence, C.M.
Deposit date:2006-05-25
Release date:2006-05-31
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Winged-Helix Protein from Sulfolobus Turreted Icosahedral Virus Points Toward Stabilizing Disulfide Bonds in the Intracellular Proteins of a Hyperthermophilic Virus.
Virology, 368, 2007
5ZTK
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BU of 5ztk by Molmil
Synchrotron structure of light-driven chloride pump having an NTQ motif
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Park, J.H, Park, S.Y, Lee, W.
Deposit date:2018-05-04
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
5ZTL
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BU of 5ztl by Molmil
Non-cryogenic structure of light-driven chloride pump having an NTQ motif
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Park, S.Y, Liu, H, Lee, W.
Deposit date:2018-05-04
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
3Q06
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BU of 3q06 by Molmil
An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity
Descriptor: Cellular tumor antigen p53, DNA (26-MER), ZINC ION
Authors:Petty, T.J, Halazonetis, T.D.
Deposit date:2010-12-15
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity.
Embo J., 30, 2011
3Q05
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BU of 3q05 by Molmil
An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity
Descriptor: Cellular tumor antigen p53, DNA (26-MER), ZINC ION
Authors:Petty, T.J, Halazonetis, T.D.
Deposit date:2010-12-15
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity.
Embo J., 30, 2011
3OQ1
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BU of 3oq1 by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor
Descriptor: 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2010-09-02
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010

221716

數據於2024-06-26公開中

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