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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
8FX7
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BU of 8fx7 by Molmil
Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
Descriptor: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, 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
4N07
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BU of 4n07 by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM-344 at 1.87 A resolution
Descriptor: 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ...
Authors:Noerholm, A.B, Frydenvang, K, Kastrup, J.S.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Synthesis, pharmacological and structural characterization, and thermodynamic aspects of GluA2-positive allosteric modulators with a 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide scaffold.
J.Med.Chem., 56, 2013
7DV8
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BU of 7dv8 by Molmil
The crystal structure of rice immune receptor RGA5-HMA2.
Descriptor: Disease resistance protein RGA5
Authors:Zhang, X, Liu, J.F.
Deposit date:2021-01-12
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:A designer rice NLR immune receptor confers resistance to the rice blast fungus carrying noncorresponding avirulence effectors.
Proc.Natl.Acad.Sci.USA, 118, 2021
8GHJ
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BU of 8ghj by Molmil
Crystal structure of human AQP2 T125M mutant
Descriptor: Aquaporin-2, CADMIUM ION
Authors:Horsefield, S, Hagstroemer, C.J.
Deposit date:2023-03-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural and functional analysis of aquaporin-2 mutants involved in nephrogenic diabetes insipidus.
Sci Rep, 13, 2023
8GJ4
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BU of 8gj4 by Molmil
A1 Tei: Adenylation domain 1 core construct from teicoplanin biosynthesis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, 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 (1.81 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
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
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
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
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
8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3I
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BU of 8g3i by Molmil
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
Descriptor: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.258 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
4EDS
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BU of 4eds by Molmil
Crystal structure of far-red fluorescent protein eqFP670
Descriptor: far-red fluorescent protein eqFP650
Authors:Pletnev, S, Pletnev, V.Z, Pletneva, N.V.
Deposit date:2012-03-27
Release date:2012-09-05
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for bathochromic shift of fluorescence in far-red fluorescent proteins eqFP650 and eqFP670.
Acta Crystallogr.,Sect.D, 68, 2012
4EDO
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BU of 4edo by Molmil
Crystal structure of far-red fluorescent protein eqFP650
Descriptor: far-red fluorescent protein eqFP650
Authors:Pletnev, S, Pletnev, V.Z, Pletneva, N.V.
Deposit date:2012-03-27
Release date:2012-09-05
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for bathochromic shift of fluorescence in far-red fluorescent proteins eqFP650 and eqFP670.
Acta Crystallogr.,Sect.D, 68, 2012
3IR8
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BU of 3ir8 by Molmil
Red fluorescent protein mKeima at pH 7.0
Descriptor: Large stokes shift fluorescent protein
Authors:Henderson, J.N, Osborn, M.F, Koon, N, Gepshtein, R, Huppert, D, Remington, S.J.
Deposit date:2009-08-21
Release date:2009-09-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Excited state proton transfer in the red fluorescent protein mKeima.
J.Am.Chem.Soc., 131, 2009
4WB3
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BU of 4wb3 by Molmil
Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin
Descriptor: ACETATE ION, CALCIUM ION, Complement C5, ...
Authors:Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
Deposit date:2014-09-02
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
4UZ3
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BU of 4uz3 by Molmil
Crystal structure of the N-terminal LysM domains from the putative NlpC/P60 D,L endopeptidase from T. thermophilus bound to N-acetyl-chitohexaose
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
Authors:Wong, J.E.M.M, Blaise, M.
Deposit date:2014-09-04
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Intermolecular Binding Mechanism Involving Multiple Lysm Domains Mediates Carbohydrate Recognition by an Endopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
4WB2
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BU of 4wb2 by Molmil
Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a complement anaphylatoxin
Descriptor: ACETATE ION, CALCIUM ION, Complement C5, ...
Authors:Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
Deposit date:2014-09-02
Release date:2015-05-06
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
4WBI
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BU of 4wbi by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutations H230Q and H309Q
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-03
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4WCB
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BU of 4wcb by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309Q
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4UR6
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BU of 4ur6 by Molmil
Structure of the type III fish antifreeze protein from Zoarces viviparus ZvAFP6
Descriptor: SULFATE ION, TYPE III ANTIFREEZE PROTEIN 6
Authors:Wilkens, C, Poulsen, J.-C.N, Ramloev, H, Lo Leggio, L.
Deposit date:2014-06-26
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Purification, Crystal Structure Determination and Functional Characterization of Type III Antifreeze Proteins from the European Eelpout Zoarces Viviparus.
Cryobiology, 69, 2014
4UR4
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BU of 4ur4 by Molmil
Structure of the type III fish antifreeze protein from Zoarces viviparus ZvAFP13
Descriptor: ANTIFREEZE PROTEIN 13
Authors:Wilkens, C, Poulsen, J.-C.N, Ramloev, H, Lo Leggio, L.
Deposit date:2014-06-26
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Purification, Crystal Structure Determination and Functional Characterization of Type III Antifreeze Proteins from the European Eelpout Zoarces Viviparus.
Cryobiology, 69, 2014
4WML
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BU of 4wml by Molmil
Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(CH2)P
Descriptor: 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, Orotate phosphoribosyltransferase 1
Authors:Bang, M.B, Molich, U, Hansen, M.R, Grubmeyer, C, Harris, P.
Deposit date:2014-10-09
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of Saccharomyces cerevisia OMP synthase in complex with PRP(CH2)P
To Be Published
4WFR
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BU of 4wfr by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with 2'-AMP
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-17
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015

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