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8GKM
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BU of 8gkm by Molmil
A1 Leu graft + Leu: Adenylation domain 1 core construct from teicoplanin biosynthesis, leucine selection pocket graft; leucine bound
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, LEUCINE, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-20
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GLC
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BU of 8glc by Molmil
A1 AncAla: Adenylation domain 1 core construct from ancestral reconstruction of glycopeptide antibiotic biosynthesis, alanine selection pocket
Descriptor: MbtH-like short polypeptide, Non-ribosomal peptide synthetase
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-21
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GIC
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BU of 8gic by Molmil
A1 Tei + Hpg: Adenylation domain 1 core construct from teicoplanin biosynthesis; 4-hydroxyphenylglycine bound
Descriptor: (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MbtH-like short polypeptide, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8FX6
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BU of 8fx6 by Molmil
Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
Descriptor: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
Authors:Ho, Y.T.C, Cryle, M.J.
Deposit date:2023-01-24
Release date:2023-06-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8GJP
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BU of 8gjp by Molmil
A1 Int graft: Adenylation domain 1 core construct from teicoplanin biosynthesis, intermediate selection pocket graft
Descriptor: MbtH-like short polypeptide, Non-ribosomal peptide synthetase
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-16
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
7KW3
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BU of 7kw3 by Molmil
Non Ribosomal PCP domain
Descriptor: PCP domain, SULFATE ION
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KW0
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BU of 7kw0 by Molmil
Non-ribosomal didomain (stabilised glycine-PCP-C) acceptor bound state
Descriptor: N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, PCP-C didomain
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KVW
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BU of 7kvw by Molmil
Non-ribosomal didomain (holo-PCP-C) acceptor bound state
Descriptor: 4'-PHOSPHOPANTETHEINE, PCP-C didomain
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KW2
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BU of 7kw2 by Molmil
Non-ribosomal didomain (holo-PCP-C) acceptor bound state, R2577G
Descriptor: 4'-PHOSPHOPANTETHEINE, PCP-C didomain
Authors:Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
Deposit date:2020-11-29
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
3CVV
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BU of 3cvv by Molmil
Drosophila melanogaster (6-4) photolyase bound to ds DNA with a T-T (6-4) photolesion and F0 cofactor
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), ...
Authors:Glas, A.F, Maul, M.J, Cryle, M.J, Barends, T.R.M, Schneider, S, Kaya, E, Schlichting, I, Carell, T.
Deposit date:2008-04-20
Release date:2009-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The archaeal cofactor F0 is a light-harvesting antenna chromophore in eukaryotes.
Proc.Natl.Acad.Sci.USA, 106, 2009
6SRN
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BU of 6srn by Molmil
Structural basis for control of antibiotic production by bacterial hormones
Descriptor: 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid, GLYCEROL, TetR family transcriptional regulator
Authors:Fulop, V.
Deposit date:2019-09-05
Release date:2020-09-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
6PYJ
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BU of 6pyj by Molmil
Crystal Structure of HLA-B*2705 in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6PYW
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BU of 6pyw by Molmil
Crystal Structure of HLA-B*2705-W60A in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6PYL
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BU of 6pyl by Molmil
Crystal Structure of HLA-B*2703 in complex with KK10, an HIV peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27:03 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6PZ5
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BU of 6pz5 by Molmil
Crystal Structure of HLA-B*2703 in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B*27:03 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
2WB2
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BU of 2wb2 by Molmil
Drosophila Melanogaster (6-4) Photolyase Bound To double stranded Dna containing a T(6-4)C Photolesion
Descriptor: 5'-D(*AP*CP*AP*GP*CP*GP*GP*64PP*ZP*GP*CP*AP *GP*GP*T)-3', 5'-D(*TP*AP*CP*CP*TP*GP*CP*GP*AP*CP*CP*GP*CP*TP*G)-3', FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Glas, A.F, Schneider, S, Maul, M.J, Hennecke, U, Carell, T.
Deposit date:2009-02-20
Release date:2009-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structure of the T(6-4)C Lesion in Complex with a (6-4) DNA Photolyase and Repair of Uv- Induced (6-4) and Dewar Photolesions.
Chemistry, 15, 2009
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
7KY1
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BU of 7ky1 by Molmil
Molecular basis for control of antibiotic production by a bacterial hormones
Descriptor: TetR family transcriptional regulator
Authors:Bhukya, H, Fulop, V.
Deposit date:2020-12-06
Release date:2021-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5000335 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021
6PYV
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BU of 6pyv by Molmil
Crystal Structure of HLA-B*2703-P47G in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-2703 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
2VE3
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BU of 2ve3 by Molmil
Retinoic acid bound cyanobacterial CYP120A1
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120, RETINOIC ACID
Authors:Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I.
Deposit date:2007-10-15
Release date:2008-04-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1.
Biochemistry, 47, 2008
6UW1
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BU of 6uw1 by Molmil
The crystal structure of FbiA from Mycobacterium Smegmatis, Fo bound form
Descriptor: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, Phosphoenolpyruvate transferase
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6UW7
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BU of 6uw7 by Molmil
The crystal structure of FbiA from Mycobacterium smegmatis, Dehydro-F420-0 bound form
Descriptor: 2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid, CALCIUM ION, GLYCEROL, ...
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Izore, T, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6UW3
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BU of 6uw3 by Molmil
The crystal structure of FbiA from Mycobacterium Smegmatis, GDP Bound form
Descriptor: CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
2VE4
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BU of 2ve4 by Molmil
Substrate free cyanobacterial CYP120A1
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120
Authors:Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I.
Deposit date:2007-10-16
Release date:2008-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1.
Biochemistry, 47, 2008

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