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2PL5
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BU of 2pl5 by Molmil
Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans
Descriptor: GLYCEROL, Homoserine O-acetyltransferase
Authors:Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W.
Deposit date:2007-04-19
Release date:2007-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans
Biochem.Biophys.Res.Commun., 363, 2007
2FBS
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BU of 2fbs by Molmil
Solution structure of the LL-37 core peptide bound to detergent micelles
Descriptor: Antibacterial protein FALL-39, core peptide
Authors:Wang, G, Li, X.
Deposit date:2005-12-10
Release date:2006-05-23
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structures of Human LL-37 Fragments and NMR-Based Identification of a Minimal Membrane-Targeting Antimicrobial and Anticancer Region
J.Am.Chem.Soc., 128, 2006
2KUB
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BU of 2kub by Molmil
Solution structure of the alpha subdomain of the major non-repeat unit of Fap1 fimbriae of Streptococcus parasanguis
Descriptor: Fimbriae-associated protein Fap1
Authors:Ramboarina, S, Garnett, J.A, Bodey, A, Simpson, P, Bardiaux, B, Nilges, M, Matthews, S.
Deposit date:2010-02-17
Release date:2010-07-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural insights into serine-rich fimbriae from gram-positive bacteria.
J.Biol.Chem., 2010
1CRL
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BU of 1crl by Molmil
INSIGHTS INTO INTERFACIAL ACTIVATION FROM AN 'OPEN' STRUCTURE OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-03-02
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Insights into interfacial activation from an open structure of Candida rugosa lipase.
J.Biol.Chem., 268, 1993
3T9N
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BU of 3t9n by Molmil
Crystal structure of a membrane protein
Descriptor: DODECYL-BETA-D-MALTOSIDE, Small-conductance mechanosensitive channel
Authors:Yang, M, Zhang, X, Ge, J, Wang, J.
Deposit date:2011-08-03
Release date:2012-10-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.456 Å)
Cite:Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
Authors:Wang, K, Wang, X, Pan, L.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
Authors:Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
6A50
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BU of 6a50 by Molmil
structure of benzoylformate decarboxylases in complex with cofactor TPP
Descriptor: MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases
Authors:Guo, Y, Wang, S, Nie, Y, Li, S.
Deposit date:2018-06-21
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis
Nat Commun, 2019
5GP1
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BU of 5gp1 by Molmil
Crystal structure of ZIKV NS5 Methyltransferase in complex with GTP and SAH
Descriptor: NICKEL (II) ION, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA-directed RNA polymerase NS5, ...
Authors:Zhang, C, Jin, T.
Deposit date:2016-07-30
Release date:2016-12-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Structure of the NS5 methyltransferase from Zika virus and implications in inhibitor design
Biochem. Biophys. Res. Commun., 492, 2017
2HNB
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BU of 2hnb by Molmil
Solution Structure of a bacterial holo-flavodoxin
Descriptor: Protein mioC
Authors:Hu, Y, Jin, C.
Deposit date:2006-07-12
Release date:2006-09-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures and backbone dynamics of a flavodoxin MioC from Escherichia coli in both Apo- and Holo-forms: implications for cofactor binding and electron transfer
J.Biol.Chem., 281, 2006
5GOZ
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BU of 5goz by Molmil
Crystal structure of ZIKV NS5 Methyltransferase in complex with GTP and SAH
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, PYROPHOSPHATE 2-, ...
Authors:Zhang, C, Jin, T.
Deposit date:2016-07-30
Release date:2016-12-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structure of the NS5 methyltransferase from Zika virus and implications in inhibitor design
Biochem. Biophys. Res. Commun., 492, 2017
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
Descriptor: Endolysin, FE (III) ION, MAGNESIUM ION, ...
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-06-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4OLK
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BU of 4olk by Molmil
The CHAP domain of LysGH15
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
3CES
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BU of 3ces by Molmil
Crystal Structure of E.coli MnmG (GidA), a Highly-Conserved tRNA Modifying Enzyme
Descriptor: tRNA uridine 5-carboxymethylaminomethyl modification enzyme gidA
Authors:Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2008-02-29
Release date:2009-03-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.412 Å)
Cite:Structure-function analysis of Escherichia coli MnmG (GidA), a highly conserved tRNA-modifying enzyme.
J.Bacteriol., 191, 2009
7FDV
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BU of 7fdv by Molmil
Cryo-EM structure of the human cholesterol transporter ABCG1 in complex with cholesterol
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 1, CHOLESTEROL, ...
Authors:Xu, D, Li, Y.Y, Yang, F.R, Sun, C.R, Pan, J.H, Wang, L, Chen, Z.P, Fang, S.C, Yao, X.B, Hou, W.T, Zhou, C.Z, Chen, Y.
Deposit date:2021-07-18
Release date:2022-06-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structure and transport mechanism of the human cholesterol transporter ABCG1.
Cell Rep, 38, 2022
2HNA
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BU of 2hna by Molmil
Solution Structure of a bacterial apo-flavodoxin
Descriptor: Protein mioC
Authors:Hu, Y, Jin, C.
Deposit date:2006-07-12
Release date:2006-09-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures and backbone dynamics of a flavodoxin MioC from Escherichia coli in both Apo- and Holo-forms: implications for cofactor binding and electron transfer
J.Biol.Chem., 281, 2006
5VZ2
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BU of 5vz2 by Molmil
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide
Descriptor: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide
Authors:Griffith, E.C, Lee, R.E.
Deposit date:2017-05-26
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
2FY8
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BU of 2fy8 by Molmil
Crystal structure of MthK rck domain in its ligand-free gating-ring form
Descriptor: Calcium-gated potassium channel mthK
Authors:Ye, S, Jiang, Y.
Deposit date:2006-02-07
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structures of a Ligand-free MthK Gating Ring: Insights into the Ligand Gating Mechanism of K(+) Channels.
Cell(Cambridge,Mass.), 126, 2006
5W18
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BU of 5w18 by Molmil
Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide
Descriptor: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
Authors:Lee, R.E, Griffith, E.C.
Deposit date:2017-06-02
Release date:2017-08-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
3E01
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BU of 3e01 by Molmil
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
Descriptor: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-07-30
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
Descriptor: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Harris, S.F, Villasenor, A, Dunten, P.
Deposit date:2008-06-19
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008
3DYA
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BU of 3dya by Molmil
HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1
Descriptor: 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-07-25
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3DY7
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BU of 3dy7 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
Descriptor: (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Ohren, J.F, Pavlovsky, A, Zhang, E.
Deposit date:2008-07-25
Release date:2009-06-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
3DV3
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BU of 3dv3 by Molmil
MEK1 with PF-04622664 Bound
Descriptor: 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Kazmirski, S.L, Kothe, M, Ding, Y.-H.
Deposit date:2008-07-18
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
8Z5J
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BU of 8z5j by Molmil
Beta-catenin Crystal Structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-04-18
Release date:2024-05-22
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 2024

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PDB entries from 2024-08-07

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