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7P2O
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BU of 7p2o by Molmil
NMR solution structure of SUD-C domain of SARS-CoV-2
Descriptor: Non-structural protein 3
Authors:Gallo, A, Tsika, A.C, Fourkiotis, N.K, Spyroulias, G.A.
Deposit date:2021-07-06
Release date:2022-07-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR solution structure of SUD-C domain of SARS-CoV-2
To Be Published
5MTI
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BU of 5mti by Molmil
Bamb_5917 Acyl-Carrier Protein
Descriptor: Phosphopantetheine-binding protein
Authors:Gallo, A, Kosol, S, Griffiths, D, Masschelein, J, Alkhalaf, L, Smith, H, Valentic, T, Tsai, S, Challis, G, Lewandowski, J.R.
Deposit date:2017-01-09
Release date:2018-08-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for chain release from the enacyloxin polyketide synthase
Nat.Chem., 2019
2LLH
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BU of 2llh by Molmil
NMR structure of Npm1_c70
Descriptor: Nucleophosmin
Authors:Banci, L, Bertini, I, Brunori, M, Di Matteo, A, Federici, L, Gallo, A, Lo Sterzo, C, Mori, M.
Deposit date:2011-11-09
Release date:2012-06-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of Nucleophosmin DNA-binding Domain and Analysis of Its Complex with a G-quadruplex Sequence from the c-MYC Promoter.
J.Biol.Chem., 287, 2012
2MJD
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BU of 2mjd by Molmil
Oxidized Yeast Adrenodoxin Homolog 1
Descriptor: Adrenodoxin homolog, mitochondrial, FE2/S2 (INORGANIC) CLUSTER
Authors:Gallo, A, Banci, L.
Deposit date:2014-01-07
Release date:2014-11-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Functional reconstitution of mitochondrial Fe/S cluster synthesis on Isu1 reveals the involvement of ferredoxin.
Nat Commun, 5, 2014
2MJE
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BU of 2mje by Molmil
Reduced Yeast Adrenodoxin Homolog 1
Descriptor: Adrenodoxin homolog, mitochondrial, FE2/S2 (INORGANIC) CLUSTER
Authors:Gallo, A, Banci, L.
Deposit date:2014-01-07
Release date:2014-11-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Functional reconstitution of mitochondrial Fe/S cluster synthesis on Isu1 reveals the involvement of ferredoxin.
Nat Commun, 5, 2014
3O55
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BU of 3o55 by Molmil
Crystal structure of human FAD-linked augmenter of liver regeneration (ALR)
Descriptor: Augmenter of liver regeneration, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A, Kallergi, E, Lionaki, E, Pozidis, C, Tokatlidis, K.
Deposit date:2010-07-28
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular recognition and substrate mimicry drive the electron-transfer process between MIA40 and ALR.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U2L
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BU of 3u2l by Molmil
Crystal structure of human ALR mutant C142S.
Descriptor: FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A.
Deposit date:2011-10-04
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An electron-transfer path through an extended disulfide relay system: the case of the redox protein ALR.
J.Am.Chem.Soc., 134, 2012
3U2M
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BU of 3u2m by Molmil
Crystal structure of human ALR mutant C142/145S
Descriptor: FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A.
Deposit date:2011-10-04
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An electron-transfer path through an extended disulfide relay system: the case of the redox protein ALR.
J.Am.Chem.Soc., 134, 2012
6CGO
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BU of 6cgo by Molmil
Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase
Descriptor: Condensation domain protein, PHOSPHATE ION
Authors:Valentic, T.R, Tsai, S.C, Challis, G.L, Lewandowski, J.R, Kosol, S, Gallo, A, Griffiths, D, Masschelein, J.L, Jenner, M, De los Santos, E.
Deposit date:2018-02-20
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for chain release from the enacyloxin polyketide synthase.
Nat.Chem., 11, 2019
2K3J
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BU of 2k3j by Molmil
The solution structure of human Mia40
Descriptor: Mitochondrial intermembrane space import and assembly protein 40
Authors:Ciofi Baffoni, S, Bertini, I, Gallo, A.
Deposit date:2008-05-08
Release date:2009-02-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:MIA40 is an oxidoreductase that catalyzes oxidative protein folding in mitochondria.
Nat.Struct.Mol.Biol., 16, 2009
2LGQ
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BU of 2lgq by Molmil
Human C30S/C59S-Cox17 mutant
Descriptor: Cytochrome c oxidase copper chaperone
Authors:Bertini, I, Ciofi-Baffoni, S, Gallo, A.
Deposit date:2011-08-01
Release date:2011-08-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Functional role of two interhelical disulfide bonds in human cox17 protein from a structural perspective.
J.Biol.Chem., 286, 2011
2L0Y
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BU of 2l0y by Molmil
Complex hMia40-hCox17
Descriptor: COX17 cytochrome c oxidase assembly homolog (S. cerevisiae) pseudogene (COX17), Mitochondrial intermembrane space import and assembly protein 40
Authors:Bertini, I, Ciofi-Baffoni, S, Gallo, A.
Deposit date:2010-07-20
Release date:2010-11-24
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Molecular chaperone function of Mia40 triggers consecutive induced folding steps of the substrate in mitochondrial protein import.
Proc.Natl.Acad.Sci.USA, 107, 2010
6F0C
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BU of 6f0c by Molmil
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
Descriptor: (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, OXYGEN MOLECULE, ...
Authors:Fulop, V.
Deposit date:2017-11-17
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC.
J.Am.Chem.Soc., 141, 2019
6F0B
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BU of 6f0b by Molmil
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
Descriptor: (3~{S},6~{S})-1,4-dimethyl-3-[(4-nitro-1~{H}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fulop, V.
Deposit date:2017-11-17
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC.
J.Am.Chem.Soc., 141, 2019
8AQQ
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BU of 8aqq by Molmil
SeMet-derived crystal structure of the N-terminal beta-hairpin docking (bHD) domain of the AerJ halogenase, from the aeruginosin biosynthetic assembly line
Descriptor: AerJ, CHLORIDE ION
Authors:Fage, C.D, Lewandowski, J.R, Challis, G.L.
Deposit date:2022-08-13
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Tandem halogenation and condensation in aeruginosin biosynthesis is directed by docking domain-mediated carrier protein recruitment
To Be Published
8AQR
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BU of 8aqr by Molmil
Native crystal structure of the N-terminal beta-hairpin docking (bHD) domain of the AerJ halogenase, from the aeruginosin biosynthetic assembly line
Descriptor: AerJ, CHLORIDE ION
Authors:Fage, C.D, Lewandowski, J.R, Challis, G.L.
Deposit date:2022-08-13
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Tandem halogenation and condensation in aeruginosin biosynthesis is directed by docking domain-mediated carrier protein recruitment
To Be Published
7P27
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BU of 7p27 by Molmil
NMR solution structure of Chikungunya virus macro domain
Descriptor: Polyprotein P1234
Authors:Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A.
Deposit date:2021-07-04
Release date:2022-07-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
7QG7
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BU of 7qg7 by Molmil
SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3
Authors:Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H.
Deposit date:2021-12-07
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
6TA8
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BU of 6ta8 by Molmil
Crystal structure of the epimerization domain from the third module of tyrocidine synthetase B, TycB3(E)
Descriptor: Tyrocidine synthase 2
Authors:Fage, C.D, Marahiel, M.A.
Deposit date:2019-10-29
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Communication Breakdown: Dissecting the COM Interfaces between the Subunits of Nonribosomal Peptide Synthetases
Acs Catalysis, 2021

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