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5MHK
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BU of 5mhk by Molmil
ICP4 DNA-binding domain in complex with 19mer DNA duplex from its own promoter
Descriptor: CHLORIDE ION, DNA (5'-D(*GP*CP*TP*CP*CP*GP*TP*GP*TP*GP*GP*AP*CP*GP*AP*TP*CP*GP*G)-3'), ICP4 DNA BINDING DOMAIN, ...
Authors:Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2016-11-24
Release date:2017-05-24
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
5MHJ
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BU of 5mhj by Molmil
ICP4 DNA-binding domain, lacking intrinsically disordered region, in complex with 12mer DNA duplex from its own promoter
Descriptor: ACETIC ACID, CHLORIDE ION, DNA (5'-D(P*CP*GP*AP*TP*CP*GP*TP*CP*C)-3'), ...
Authors:Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2016-11-24
Release date:2017-05-24
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
4YXP
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BU of 4yxp by Molmil
The structure of the folded domain of the signature multifunctional protein ICP27 from herpes simplex virus-1 reveals an intertwined dimer.
Descriptor: ZINC ION, mRNA export factor
Authors:Tunnicliffe, R.B, Schacht, M, Levy, C.W, Jowitt, T.A, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2015-03-23
Release date:2015-06-17
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The structure of the folded domain from the signature multifunctional protein ICP27 from herpes simplex virus-1 reveals an intertwined dimer.
Sci Rep, 5, 2015
2YKA
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BU of 2yka by Molmil
RRM domain of mRNA export adaptor REF2-I bound to HVS ORF57 peptide
Descriptor: 52 KDA IMMEDIATE-EARLY PHOSPHOPROTEIN, RNA AND EXPORT FACTOR-BINDING PROTEIN 2
Authors:Tunnicliffe, R.B, Hautbergue, G.M, Kalra, P, Wilson, S.A, Golovanov, A.P.
Deposit date:2011-05-26
Release date:2012-06-13
Last modified:2014-02-26
Method:SOLUTION NMR
Cite:Competitive and Cooperative Interactions Mediate RNA Transfer from Herpesvirus Saimiri Orf57 to the Mammalian Export Adaptor Alyref.
Plos Pathog., 10, 2014
2NRG
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BU of 2nrg by Molmil
Solution Structure of PufX from Rhodobacter Sphaeroides (minimised average)
Descriptor: Intrinsic membrane protein pufX
Authors:Tunnicliffe, R.B, Ratcliffe, E.C, Hunter, C.N, Williamson, M.P.
Deposit date:2006-11-02
Release date:2006-12-26
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The solution structure of the PufX polypeptide from Rhodobacter sphaeroides.
Febs Lett., 580, 2006
6HAU
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BU of 6hau by Molmil
KSHV PAN RNA Mta-response element fragment complexed with the globular domain of herpesvirus saimiri ORF57
Descriptor: ACETATE ION, MRE fragment of PAN RNA, ZINC ION, ...
Authors:Tunnicliffe, R.B, Levy, C, Ruiz Nivia, H.D, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2018-08-08
Release date:2018-11-21
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural identification of conserved RNA binding sites in herpesvirus ORF57 homologs: implications for PAN RNA recognition.
Nucleic Acids Res., 47, 2019
6HAT
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BU of 6hat by Molmil
Globular domain of herpesvirus saimiri ORF57
Descriptor: ACETATE ION, ZINC ION, mRNA export factor ICP27 homolog
Authors:Tunnicliffe, R.B, Levy, C, Ruiz Nivia, H.D, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2018-08-08
Release date:2018-11-21
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.856 Å)
Cite:Structural identification of conserved RNA binding sites in herpesvirus ORF57 homologs: implications for PAN RNA recognition.
Nucleic Acids Res., 47, 2019
6FAD
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BU of 6fad by Molmil
SR protein kinase 1 (SRPK1) in complex with the RGG-box of HSV1 ICP27
Descriptor: PHOSPHATE ION, SRSF protein kinase 1, mRNA export factor
Authors:Tunnicliffe, R.B, Levy, C, Mould, A.P, Mckenzie, E.A, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2017-12-15
Release date:2019-09-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Molecular Mechanism of SR Protein Kinase 1 Inhibition by the Herpes Virus Protein ICP27.
Mbio, 10, 2019
2BGP
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BU of 2bgp by Molmil
Mannan Binding Module from Man5C in bound conformation
Descriptor: ENDO-B1,4-MANNANASE 5C
Authors:Tunnicliffe, R.B, Bolam, D.N, Pell, G, Gilbert, H.J, Williamson, M.P.
Deposit date:2005-01-04
Release date:2005-03-09
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of a Mannan-Specific Family 35 Carbohydrate-Binding Module: Evidence for Significant Conformational Changes Upon Ligand Binding
J.Mol.Biol., 347, 2005
2BGO
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BU of 2bgo by Molmil
Mannan Binding Module from Man5C
Descriptor: ENDO-B1,4-MANNANASE 5C
Authors:Tunnicliffe, R.B, Bolam, D.N, Pell, G, Gilbert, H.J, Williamson, M.P.
Deposit date:2005-01-04
Release date:2005-03-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of a Mannan-Specific Family 35 Carbohydrate-Binding Module: Evidence for Significant Conformational Changes Upon Ligand Binding
J.Mol.Biol., 347, 2005
2ITA
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BU of 2ita by Molmil
Solution structure of PufX from Rhodobacter sphaeroides
Descriptor: Intrinsic membrane protein pufX
Authors:Tunnicliffe, R.B, Ratcliffe, E.C, Hunter, C.N, Williamson, M.P.
Deposit date:2006-10-19
Release date:2006-12-26
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The solution structure of the PufX polypeptide from Rhodobacter sphaeroides.
Febs Lett., 580, 2006
2J53
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BU of 2j53 by Molmil
Solution Structure of GB1 domain Protein G and low and high pressure.
Descriptor: IMMUNOGLOBULIN G-BINDING PROTEIN G
Authors:Wilton, D.J, Tunnicliffe, R.B, Kamatari, Y.O, Akasaka, K, Williamson, M.P.
Deposit date:2006-09-11
Release date:2007-09-25
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Pressure-Induced Changes in the Solution Structure of the Gb1 Domain of Protein G.
Proteins, 71, 2008
2J4M
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BU of 2j4m by Molmil
Double dockerin from Piromyces equi Cel45A
Descriptor: ENDOGLUCANASE 45A
Authors:Nagy, T, Tunnicliffe, R.B, Higgins, L.D, Walters, C, Gilbert, H.J, Williamson, M.P.
Deposit date:2006-09-01
Release date:2007-09-25
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Characterization of a Double Dockerin from the Cellulosome of the Anaerobic Fungus Piromyces Equi.
J.Mol.Biol., 373, 2007
2J52
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BU of 2j52 by Molmil
Solution Structure of GB1 domain Protein G and low and high pressure.
Descriptor: IMMUNOGLOBULIN G-BINDING PROTEIN G
Authors:Wilton, D.J, Tunnicliffe, R.B, Kamatari, Y.O, Akasaka, K, Williamson, M.P.
Deposit date:2006-09-11
Release date:2007-09-25
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Pressure-Induced Changes in the Solution Structure of the Gb1 Domain of Protein G.
Proteins, 71, 2008
2J4N
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BU of 2j4n by Molmil
Double dockerin from Piromyces equi Cel45A
Descriptor: ENDOGLUCANASE 45A
Authors:Nagy, T, Tunnicliffe, R.B, Higgins, L.D, Walters, C, Gilbert, H.J, Williamson, M.P.
Deposit date:2006-09-01
Release date:2007-09-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of a Double Dockerin from the Cellulosome of the Anaerobic Fungus Piromyces Equi.
J.Mol.Biol., 373, 2007
2KT5
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BU of 2kt5 by Molmil
RRM domain of mRNA export adaptor REF2-I bound to HSV-1 ICP27 peptide
Descriptor: ICP27, RNA and export factor-binding protein 2
Authors:Tunnicliffe, N.B, Golovanov, A.P, Wilson, S.A, Hautbergue, G.M.
Deposit date:2010-01-18
Release date:2011-01-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural Basis for the Recognition of Cellular mRNA Export Factor REF by Herpes Viral Proteins HSV-1 ICP27 and HVS ORF57.
Plos Pathog., 7, 2011
7YXF
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BU of 7yxf by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-02-16
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZLZ
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BU of 7zlz by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-04-17
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZQR
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BU of 7zqr by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 4-(4-methoxyphenyl)pyridine, CHLORIDE ION, GLYCEROL, ...
Authors:Snee, M, Katariya, M, Tunnicliffe, R, Levy, C, Leys, D.
Deposit date:2022-05-02
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7NQM
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BU of 7nqm by Molmil
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ...
Authors:Selvam, I.R.
Deposit date:2021-03-01
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
7NQN
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BU of 7nqn by Molmil
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ...
Authors:Selvam, I.R.
Deposit date:2021-03-01
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
7NQO
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BU of 7nqo by Molmil
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ...
Authors:Selvam, I.R.
Deposit date:2021-03-01
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
2WZ8
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BU of 2wz8 by Molmil
Family 35 carbohydrate binding module from Clostridium thermocellum
Descriptor: CALCIUM ION, CELLULOSOME PROTEIN DOCKERIN TYPE I, MAGNESIUM ION
Authors:Gloster, T.M, Davies, G.J, Fontes, C.M, Gilbert, H.J.
Deposit date:2009-11-25
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Signature Active Site Architectures Illuminate the Molecular Basis for Ligand Specificity in Family 35 Carbohydrate Binding Module .
Biochemistry, 49, 2010
6QB2
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BU of 6qb2 by Molmil
Crystal structure of the cystatin-based engineered protein scaffold SQT-1C
Descriptor: Monomer of SQT-1C
Authors:Levy, C.W.
Deposit date:2018-12-20
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Studies of the oligomerisation mechanism of a cystatin-based engineered protein scaffold.
Sci Rep, 9, 2019
7ZXD
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BU of 7zxd by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-05-20
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023

 

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