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3RKY
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BU of 3rky by Molmil
Structural characterisation of staphylococcus aureus biotin protein ligase
Descriptor: BIOTIN, Biotin-[acetyl-CoA-carboxylase] ligase
Authors:Wilce, M.C.J.
Deposit date:2011-04-18
Release date:2012-04-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.232 Å)
Cite:Structural characterisation of staphylococcus aureus biotin protein ligase
To be Published
1WVN
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BU of 1wvn by Molmil
Crystal Structure of domain 3 of human alpha polyC binding protein
Descriptor: Poly(rC)-binding protein 1
Authors:Wilce, M.C.J, Wilce, J.A, Sidiqu, M.
Deposit date:2004-12-17
Release date:2005-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and RNA binding of the third KH domain of poly(C)-binding protein 1.
Nucleic Acids Res., 33, 2005
3RKX
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BU of 3rkx by Molmil
Structural characterisation of staphylococcus aureus biotin protein ligase
Descriptor: Biotin-[acetyl-CoA-carboxylase] ligase
Authors:Wilce, M.C.J.
Deposit date:2011-04-18
Release date:2012-04-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterisation of staphylococcus aureus biotin protein ligase
TO BE PUBLISHED
3RKW
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BU of 3rkw by Molmil
Structural characterisation of staphylococcus aureus biotin protein ligase
Descriptor: BIOTINYL-5-AMP, Biotin-[acetyl-CoA-carboxylase] ligase
Authors:Wilce, M.C.J, Pendini, N.R, Yap, M.Y.
Deposit date:2011-04-18
Release date:2012-04-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterisation of staphylococcus aureus biotin protein ligase
To be published
8ENI
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BU of 8eni by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
Descriptor: 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA
Authors:Wilce, M.C.J, Cini, D.A.
Deposit date:2022-09-30
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
3RIR
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BU of 3rir by Molmil
Crystal Strucrture of Biotin Protein Ligase from S. aureus
Descriptor: BIOTINYL-5-AMP, Biotin-[acetyl-CoA-carboxylase] ligase
Authors:Wilce, M.C.J.
Deposit date:2011-04-14
Release date:2012-04-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Strucrture of Biotin Protein Ligase from S. aureus
To be published
7MP3
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BU of 7mp3 by Molmil
Grb7-SH2 domain in complex with bicyclic peptide B8
Descriptor: Growth factor receptor-bound protein 7, bicyclic peptide B8, {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
Authors:Colson, R, Wilce, M.C.J, Wilce, J.A.
Deposit date:2021-05-04
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability.
Biomedicines, 10, 2022
8SKK
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BU of 8skk by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL17
Descriptor: C-C motif chemokine 17, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2023-04-19
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL7
To be Published
5TYI
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BU of 5tyi by Molmil
Grb7 SH2 with bicyclic peptide containing pY mimetic
Descriptor: Growth factor receptor-bound protein 7, Peptide inhibitor
Authors:Watson, G.M, Wilce, M.C.J, Wilce, J.A.
Deposit date:2016-11-20
Release date:2017-11-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
5U1Q
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BU of 5u1q by Molmil
Grb7-SH2 with bicyclic peptide inhibitor
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 7, LYS-PHE-GLU-GLY-TYR-ASP-ASN-GLU-CST
Authors:Watson, G.M, Wilce, M.C.J, Wilce, J.A.
Deposit date:2016-11-28
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
6APW
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BU of 6apw by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
Descriptor: 4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid, Bifunctional ligase/repressor BirA
Authors:Cini, D.A, Wilce, M.C.J.
Deposit date:2017-08-18
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.614 Å)
Cite:Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
6AQQ
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BU of 6aqq by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
Descriptor: (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Bifunctional ligase/repressor BirA
Authors:Cini, D.A, Wilce, M.C.J.
Deposit date:2017-08-21
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
1ZTG
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BU of 1ztg by Molmil
human alpha polyC binding protein KH1
Descriptor: 5'-D(P*CP*CP*CP*TP*CP*CP*CP*T)-3', POLY(RC)-BINDING PROTEIN 1
Authors:Sidiqi, M, Wilce, J.A, Barker, A, Schmidgerger, J, Leedman, P.J, Wilce, M.C.J.
Deposit date:2005-05-27
Release date:2006-05-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Contribution of the first K-homology domain of poly(C)-binding protein 1 to its affinity and specificity for C-rich oligonucleotides
Nucleic Acids Res., 40, 2012
2DPU
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BU of 2dpu by Molmil
Crystal structure of the replication termination protein in complex with a pseudosymmetric 21mer B-site DNA
Descriptor: 5'-D(*CP*TP*AP*TP*GP*AP*AP*CP*AP*TP*T)-3', 5'-D(P*AP*TP*GP*TP*TP*CP*AP*TP*AP*G)-3', Replication termination protein
Authors:Vivian, J.P, Wilce, J, Wilce, M.C.J.
Deposit date:2006-05-15
Release date:2007-05-15
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of the replication termination protein in complex with a pseudosymmetric 21mer B-site DNA
to be published
2DPD
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BU of 2dpd by Molmil
Crystal structure of the Replication Termination Protein in complex with a pseudosymmetric B-site
Descriptor: 5'-D(*CP*TP*AP*TP*GP*AP*AP*CP*AP*TP*AP*AP*TP*GP*TP*TP*CP*AP*TP*AP*G)-3', 5'-D(*CP*TP*AP*TP*GP*AP*AP*CP*AP*TP*TP*AP*TP*GP*TP*TP*CP*AP*TP*AP*G)-3', Replication termination protein
Authors:Vivian, J.P, Wilce, J, Wilce, M.C.J.
Deposit date:2006-05-09
Release date:2007-05-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Crystal structure of the Replication Termination Protein in complex with a pseudosymmetric B-site
to be published
2DQR
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BU of 2dqr by Molmil
Crystal structure of the replication terminator protein mutant RTP.E39K.R42Q
Descriptor: Replication termination protein
Authors:Vivian, J.P, Wilce, J.A, Wilce, M.C.J.
Deposit date:2006-05-29
Release date:2007-05-29
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structure of the replication terminator protein mutant RTP.E39K.R42Q
to be published
2EFW
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BU of 2efw by Molmil
Crystal structure of the RTP:nRB complex from Bacillus subtilis
Descriptor: DNA (5'-D(*DCP*DT*DAP*DTP*DGP*DTP*DAP*DCP*DCP*DAP*DAP*DAP*DTP*DGP*DTP*DTP*DCP*DAP*DGP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DCP*DTP*DGP*DAP*DAP*DCP*DAP*DTP*DTP*DTP*DGP*DGP*DTP*DAP*DCP*DAP*DTP*DAP*DG)-3'), Replication termination protein
Authors:Vivian, J.P, Porter, C.J, Wilce, J.A, Wilce, M.C.J.
Deposit date:2007-02-26
Release date:2008-02-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An asymmetric structure of the Bacillus subtilis replication terminator protein in complex with DNA
J.Mol.Biol., 370, 2007
2WZM
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BU of 2wzm by Molmil
Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form
Descriptor: ALDO-KETO REDUCTASE, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Scoble, J, McAlister, A.D, Fulton, Z, Troy, S, Byres, E, Vivian, J.P, Brammananth, R, Wilce, M.C.J, Le Nours, J, Zaker-Tabrizi, L, Coppel, R.L, Crellin, P.K, Rossjohn, J, Beddoe, T.
Deposit date:2009-11-30
Release date:2010-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal Structure and Comparative Functional Analyses of a Mycobacterium Aldo-Keto Reductase.
J.Mol.Biol., 398, 2010
2WZT
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BU of 2wzt by Molmil
Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form
Descriptor: ALDO-KETO REDUCTASE
Authors:Scoble, J, McAlister, A.D, Fulton, Z, Troy, S, Byres, E, Vivian, J.P, Brammananth, R, Wilce, M.C.J, Le Nours, J, Zaker-Tabrizi, L, Coppel, R.L, Crellin, P.K, Rossjohn, J, Beddoe, T.
Deposit date:2009-12-03
Release date:2010-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure and Comparative Functional Analyses of a Mycobacterium Aldo-Keto Reductase.
J.Mol.Biol., 398, 2010
2NO4
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BU of 2no4 by Molmil
Crystal Structure analysis of a Dehalogenase
Descriptor: (S)-2-haloacid dehalogenase IVA, CHLORIDE ION, SULFATE ION
Authors:Schmidberger, J.W, Wilce, M.C.J.
Deposit date:2006-10-24
Release date:2007-09-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of the substrate free-enzyme, and reaction intermediate of the HAD superfamily member, haloacid dehalogenase DehIVa from Burkholderia cepacia MBA4
J.Mol.Biol., 368, 2007
2NO5
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BU of 2no5 by Molmil
Crystal Structure analysis of a Dehalogenase with intermediate complex
Descriptor: (2S)-2-CHLOROPROPANOIC ACID, (S)-2-haloacid dehalogenase IVA, CHLORIDE ION, ...
Authors:Schmidberger, J.W, Wilce, M.C.J.
Deposit date:2006-10-24
Release date:2007-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the substrate free-enzyme, and reaction intermediate of the HAD superfamily member, haloacid dehalogenase DehIVa from Burkholderia cepacia MBA4
J.Mol.Biol., 368, 2007
2IY9
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BU of 2iy9 by Molmil
Crystal structure of the A-subunit of the AB5 toxin from E. coli
Descriptor: SUBA
Authors:Paton, A.W, Beddoe, T, Thorpe, C.M, Whisstock, J.C, Wilce, M.C.J, Rossjohn, J, Talbot, U.M, Paton, J.C.
Deposit date:2006-07-13
Release date:2006-10-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ab5 Subtilase Cytotoxin Inactivates the Endoplasmic Reticulum Chaperone Bip
Nature, 443, 2006
3VKE
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BU of 3vke by Molmil
Contribution of the first K-homology domain of poly(C)-binding protein 1 to its affinity and specificity for C-rich oligonucleotides
Descriptor: DNA (5'-D(P*AP*CP*CP*CP*CP*A)-3'), Poly(rC)-binding protein 1
Authors:Traore, D.A.K, Wilce, M.C.J, Wilce, J.A.
Deposit date:2011-11-15
Release date:2012-02-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Contribution of the first K-homology domain of poly(C)-binding protein 1 to its affinity and specificity for C-rich oligonucleotides
Nucleic Acids Res., 40, 2012
1T3W
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BU of 1t3w by Molmil
Crystal Structure of the E.coli DnaG C-terminal domain (residues 434 to 581)
Descriptor: ACETIC ACID, DNA primase
Authors:Oakley, A.J, Loscha, K.V, Schaeffer, P.M, Liepinsh, E, Wilce, M.C.J, Otting, G, Dixon, N.E.
Deposit date:2004-04-28
Release date:2004-11-02
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal and solution structures of the helicase-binding domain of Escherichia coli primase
J.Biol.Chem., 280, 2005
8FK6
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BU of 8fk6 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL7
Descriptor: C-C motif chemokine 7, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2022-12-20
Release date:2023-03-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023

 

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