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5IHW
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BU of 5ihw by Molmil
The crystal structure of SdrE from staphylococcus aureus
Descriptor: Serine-aspartate repeat-containing protein E
Authors:Zhang, S, Wei, J, Wu, S, Zhang, X, Luo, M, Wang, D.
Deposit date:2016-02-29
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The crystal structure of SdrE from staphylococcus aureus
To Be Published
5IMV
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BU of 5imv by Molmil
Xanthomonas campestris Peroxiredoxin Q - Structure F6
Descriptor: Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION
Authors:Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A.
Deposit date:2016-03-07
Release date:2016-09-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
5IPO
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BU of 5ipo by Molmil
Solution Structure of Hge36: Scorpine-like Peptide from Hadrurus Gertschi
Descriptor: Hge-scorpine
Authors:Flores-Solis, D, Rodriguez De La Vega, R, del Rio-Portilla, F.
Deposit date:2016-03-09
Release date:2016-06-29
Last modified:2016-08-10
Method:SOLUTION NMR
Cite:Solution structure and antiparasitic activity of scorpine-like peptides from Hoffmannihadrurus gertschi.
Febs Lett., 590, 2016
7SF1
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BU of 7sf1 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2021-10-02
Release date:2022-10-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
6LYD
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BU of 6lyd by Molmil
Crystal Structure of mimivirus UNG Y322L in complex with UGI
Descriptor: Probable uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor
Authors:Pathak, D, Kwon, E, Kim, D.Y.
Deposit date:2020-02-14
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Selective interactions between mimivirus uracil-DNA glycosylase and inhibitory proteins determined by a single amino acid.
J.Struct.Biol., 211, 2020
5I43
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BU of 5i43 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32).
Descriptor: (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-11
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
6M37
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BU of 6m37 by Molmil
The crystal structure of B. subtilis RsbV/RsbW complex in the hexagonal crystal form
Descriptor: Anti-sigma-B factor antagonist, Serine-protein kinase RsbW
Authors:Pathak, D, Kwon, E, Kim, D.Y.
Deposit date:2020-03-02
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into the regulation of SigB activity by RsbV and RsbW.
Iucrj, 7, 2020
6LZ2
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BU of 6lz2 by Molmil
Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D.
Deposit date:2020-02-17
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification.
Commun Biol, 3, 2020
6LSA
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BU of 6lsa by Molmil
Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D, ...
Authors:Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
Deposit date:2020-01-17
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
6M36
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BU of 6m36 by Molmil
The crystal structure of B. subtilis RsbV/RsbW complex in the monoclinic crystal form
Descriptor: Anti-sigma-B factor antagonist, Serine-protein kinase RsbW
Authors:Pathak, D, Kwon, E, Kim, D.Y.
Deposit date:2020-03-02
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insights into the regulation of SigB activity by RsbV and RsbW.
Iucrj, 7, 2020
8G0M
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BU of 8g0m by Molmil
Structure of complex between TV6.6 and CD98hc ECD
Descriptor: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ...
Authors:Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C.
Deposit date:2023-01-31
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023
4FZM
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BU of 4fzm by Molmil
Crystal structure of the bacteriocin syringacin M from Pseudomonas syringae pv. tomato DC3000
Descriptor: 1,2-ETHANEDIOL, Bacteriocin, CALCIUM ION
Authors:Roszak, A.W, Grinter, R, Cogdell, J.R, Walker, D.
Deposit date:2012-07-06
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:The Crystal Structure of the Lipid II-degrading Bacteriocin Syringacin M Suggests Unexpected Evolutionary Relationships between Colicin M-like Bacteriocins.
J.Biol.Chem., 287, 2012
4FZS
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BU of 4fzs by Molmil
Structure of human SNX1 BAR domain
Descriptor: Sorting nexin-1
Authors:van Weering, J.R.T, Sessions, R.B, Traer, C.J, Kloer, D.P, Bhatia, V.K, Stamou, D, Hurley, J.H, Cullen, P.J.
Deposit date:2012-07-07
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular insight into vesicle-to-tubule membrane remodeling by SNX-BAR proteins
To be Published
4FSC
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BU of 4fsc by Molmil
Crystal Structure of Bacillus thuringiensis PlcR in its apo form
Descriptor: Transcriptional activator PlcR protein
Authors:Grenha, R, Slamti, L, Bouillaut, L, Lereclus, D, Nessler, S.
Deposit date:2012-06-27
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structural basis for the activation mechanism of the PlcR virulence regulator by the quorum-sensing signal peptide PapR.
Proc.Natl.Acad.Sci.USA, 110, 2013
4G21
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BU of 4g21 by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G2I
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BU of 4g2i by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Vitamin D3 receptor
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-12
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4G1T
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BU of 4g1t by Molmil
Crystal structure of interferon-stimulated gene 54
Descriptor: Interferon-induced protein with tetratricopeptide repeats 2
Authors:Yang, Z, Liang, H, Zhou, Q, Li, Y, Chen, H, Ye, W, Chen, D, Fleming, J, Shu, H, Liu, Y.
Deposit date:2012-07-11
Release date:2012-08-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of ISG54 reveals a novel RNA binding structure and potential functional mechanisms.
Cell Res., 22, 2012
4GKO
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BU of 4gko by Molmil
Crystal structure of the calcium2+-bound human IgE-Fc(epsilon)3-4 bound to its B cell receptor derCD23
Descriptor: CALCIUM ION, Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, ...
Authors:Yuan, D, Sutton, B.J, Dhaliwal, B.
Deposit date:2012-08-13
Release date:2013-06-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
8FXB
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BU of 8fxb by Molmil
SARS-CoV-2 XBB.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-01-24
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
4G1Y
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BU of 4g1y by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4GJH
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BU of 4gjh by Molmil
Crystal Structure of the TRAF domain of TRAF5
Descriptor: TNF receptor-associated factor 5
Authors:Zhang, P, Reichardt, A, Liang, H, Wang, Y, Cheng, D, Aliyari, R, Cheng, G, Liu, Y.
Deposit date:2012-08-09
Release date:2012-11-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
4GKG
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BU of 4gkg by Molmil
Crystal structure of the S-Helix Linker
Descriptor: C4-dicarboxylate transport sensor protein dctB, PHOSPHATE ION
Authors:Liu, J.W, Lu, D, Sun, Y.J, Wen, J, Yang, Y, Yang, J.G, Wei, X.L, Zhang, X.D, Wang, Y.P.
Deposit date:2012-08-11
Release date:2013-08-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Crystal structure of the S-Helix Linker
To be Published
4GLH
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BU of 4glh by Molmil
DNA dodecamer containing 5-hydroxymethyl cytosine
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(5HC)P*GP*CP*G)-3'), POTASSIUM ION
Authors:Spingler, B, Renciuk, D, Vorlickova, M.
Deposit date:2012-08-14
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Crystal structures of B-DNA dodecamer containing the epigenetic modifications 5-hydroxymethylcytosine or 5-methylcytosine.
Nucleic Acids Res., 41, 2013
8FXC
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BU of 8fxc by Molmil
SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-01-24
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
4G48
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BU of 4g48 by Molmil
Structure of CYP121 in complex with 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
Descriptor: 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C.
Deposit date:2012-07-16
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012

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