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7S5A
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BU of 7s5a by Molmil
Crystal structure of human chemokine CCL8
Descriptor: C-C motif chemokine 8
Authors:Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2021-09-10
Release date:2021-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S59
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BU of 7s59 by Molmil
Crystal structure of the tick evasin EVA-P974 complexed to a chimera made of human chemokines CCL7 and CCL8
Descriptor: Evasin P974, SULFATE ION, chimera protein of C-C motif chemokine 7 and C-C motif chemokine 8,C-C motif chemokine 7
Authors:Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2021-09-10
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S58
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BU of 7s58 by Molmil
Crystal Structure of the tick evasin EVA-P974 complexed to human chemokine CCL7
Descriptor: C-C motif chemokine 7, Evasin P974
Authors:Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2021-09-10
Release date:2022-03-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S4N
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BU of 7s4n by Molmil
Crystal structure of the tick evasin EVA-P974 complexed to human chemokine CCL17
Descriptor: C-C motif chemokine 17, Evasin P974
Authors:Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2021-09-09
Release date:2022-03-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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:2024-05-08
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
3A3T
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BU of 3a3t by Molmil
The oxidoreductase NmDsbA1 from N. meningitidis
Descriptor: Thiol:disulfide interchange protein DsbA
Authors:Vivian, J.P, Scoullar, J, Bushell, S, Beddoe, T, Wilce, M.C.J, Byres, E, Boyle, T.P, Rimmer, K, Doak, B, Simpson, J.S, Graham, B, Heras, B, Kahler, C.M, Rossjohn, J, Scanlon, M.J.
Deposit date:2009-06-19
Release date:2009-10-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of the oxidoreductase DsbA1 from Neisseria meningitidis
J.Mol.Biol., 394, 2009
8FJ0
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BU of 8fj0 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2
Descriptor: C-C motif chemokine 2, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2022-12-18
Release date:2023-03-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
8FK8
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BU of 8fk8 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) 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:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
8FJ3
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BU of 8fj3 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7(Y13A)
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:2022-12-19
Release date:2023-03-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
8FJ2
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BU of 8fj2 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(C8) 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:2022-12-19
Release date:2023-03-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
8FK9
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BU of 8fk9 by Molmil
Crystal Structure of the Tick Evasin EVA-ACA1001 Complexed to Human Chemokine CCL16
Descriptor: C-C motif chemokine 16, Evasin P991
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2022-12-21
Release date:2024-01-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of chemokine recognition by the class A3 tick evasin EVA-ACA1001.
Protein Sci., 33, 2024
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
1J0R
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BU of 1j0r by Molmil
Crystal structure of the replication termination protein mutant C110S
Descriptor: replication termination protein
Authors:Vivian, J.P, Hastings, A.F, Duggin, I.G, Wake, R.G, Wilce, M.C.J, Wilce, J.A.
Deposit date:2002-11-20
Release date:2003-11-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The impact of single cysteine residue mutations on the replication terminator protein
Biochem.Biophys.Res.Commun., 310, 2003
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
3BJX
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BU of 3bjx by Molmil
Structure of a Group I haloacid dehalogenase from Pseudomonas putida strain PP3
Descriptor: Halocarboxylic acid dehalogenase DehI, SULFATE ION
Authors:Schmidberger, J.W, Wilce, M.C.J.
Deposit date:2007-12-05
Release date:2008-04-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of DehI reveals a new alpha-haloacid dehalogenase fold and active-site mechanism
J.Mol.Biol., 378, 2008
2MHC
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BU of 2mhc by Molmil
NMR structure of the catalytic domain of the large serine resolvase TnpX
Descriptor: TnpX
Authors:Headey, S.J, Sivakumaran, A, Adams, V, Rodgers, A.J.W, Rood, J.I, Scanlon, M.J, Wilce, M.C.J.
Deposit date:2013-11-20
Release date:2014-11-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure and DNA Binding of the Catalytic of the Large Serine Resolvase Tnpx
To be Published
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:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ab5 Subtilase Cytotoxin Inactivates the Endoplasmic Reticulum Chaperone Bip
Nature, 443, 2006
1R7O
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BU of 1r7o by Molmil
Crystal Structure of apo-mannanase 26A from Psudomonas cellulosa
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ZINC ION, ...
Authors:Oakley, A.J, Wilce, M.C.J.
Deposit date:2003-10-22
Release date:2003-11-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural investigation of Mannanase 26A from Pseudomonas cellulosa reveals an induced fit mechanism and a non-substrate ligand binding site
To be published
3CDG
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BU of 3cdg by Molmil
Human CD94/NKG2A in complex with HLA-E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Petrie, E.J, Clements, C.S, Lin, J, Sullivan, L.C, Johnson, D, Huyton, T, Heroux, A, Hoare, H.L, Beddoe, T, Reid, H.H, Wilce, M.C.J, Brooks, A.G, Rossjohn, J.
Deposit date:2008-02-26
Release date:2008-04-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:CD94-NKG2A recognition of human leukocyte antigen (HLA)-E bound to an HLA class I leader sequence
J.Exp.Med., 205, 2008
3DWQ
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BU of 3dwq by Molmil
Crystal structure of the A-subunit of the AB5 toxin from E. coli with Neu5Gc-2,3Gal-1,3GlcNAc
Descriptor: AZIDE ION, N-PROPANOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ...
Authors:Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T.
Deposit date:2008-07-22
Release date:2008-11-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
3DWA
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BU of 3dwa by Molmil
Crystal structure of the B-subunit of the AB5 toxin from E. coli
Descriptor: PENTAETHYLENE GLYCOL, Subtilase cytotoxin, subunit B
Authors:Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T.
Deposit date:2008-07-22
Release date:2008-11-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
3DWP
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BU of 3dwp by Molmil
Crystal structure of the B-subunit of the AB5 toxin from E. Coli with Neu5Gc
Descriptor: N-glycolyl-alpha-neuraminic acid, PENTAETHYLENE GLYCOL, Subtilase cytotoxin, ...
Authors:Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T.
Deposit date:2008-07-22
Release date:2008-11-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
6ORU
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BU of 6oru by Molmil
Crystal structure of Bira from S. aureus in complex with a acylsulfamide analogue of biotinyl-5'-AMP
Descriptor: Bifunctional ligase/repressor BirA, N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Authors:Wilce, M.C.J, Cini, D.
Deposit date:2019-05-01
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Enhancing the stability of the sulfonamide linker of BPL inhibitors
To Be Published

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