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7A11
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BU of 7a11 by Molmil
LppS with covalent adduct derived from 1E
Descriptor: ACETATE ION, L,D-transpeptidase 2, propane-1-thiol
Authors:Schnell, R, Steiner, E.M.
Deposit date:2020-08-11
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
7A1C
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BU of 7a1c by Molmil
LdtMT2 with covalent adduct derived from N-Thio-beta-lactam 1a
Descriptor: DIMETHYL SULFOXIDE, L,D-transpeptidase 2
Authors:Schnell, R, Steiner, E.M.
Deposit date:2020-08-12
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
8CGQ
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BU of 8cgq by Molmil
Crystal structure of UGT708A6 with UDP
Descriptor: CHLORIDE ION, UDP-glycosyltransferase 708A6, URIDINE-5'-DIPHOSPHATE
Authors:Fredslund, F, Bidart, G.N, Welner, D.H.
Deposit date:2023-02-06
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of UGT708A6 with UDP
To Be Published
8C67
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BU of 8c67 by Molmil
Crystal structure of Ab25 Fab
Descriptor: antibody 25 heavy chain, antibody 25 light chain
Authors:Nyblom, M, Izadi, A, Tang, D, Bahnan, W, Happonen, L, Malmstroem, J, Shannon, O, Malmstroem, L, Nordenfelt, P.
Deposit date:2023-01-11
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Engineering of IgG1 hinge to the flexible IgG3 hinge enhances immune defense against streptococci
To Be Published
8CPL
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BU of 8cpl by Molmil
YZw2 a scaffold for cryo-EM of small proteins of interest
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putrescine aminotransferase,Immunoglobulin G-binding protein A
Authors:Moche, M, Friberg, O, Nygren, P.A, Nilvebrant, J.
Deposit date:2023-03-03
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:Engineered imaging scaffolds for cryo-EM of small proteins of interest.
To Be Published
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
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
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
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
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
8F0L
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BU of 8f0l by Molmil
Crystal Structure of the Human T cell Receptor CD3(EPSILON) N-Terminal Peptide Complexed with ADI-26906 FAB
Descriptor: ADI-26906 Fab Heavy Chain, ADI-26906 Fab Light Chain, GLYCEROL, ...
Authors:Battles, M.B, Welin, M.
Deposit date:2022-11-03
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-based engineering of a novel CD3 epsilon-targeting antibody for reduced polyreactivity.
Mabs, 15, 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
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
7Z1U
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BU of 7z1u by Molmil
Biochemical implications of the substitution of a unique cysteine residue in sugar beet phytoglobin BvPgb 1.2
Descriptor: Non-symbiotic hemoglobin class 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nyblom, M, Christensen, S, Leiva Eriksson, N, Bulow, L.
Deposit date:2022-02-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Oxidative Implications of Substituting a Conserved Cysteine Residue in Sugar Beet Phytoglobin BvPgb 1.2.
Antioxidants, 11, 2022
7ZF0
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BU of 7zf0 by Molmil
Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile
Descriptor: (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ...
Authors:Putkaradze, N, Fredslund, F, Welner, D.H.
Deposit date:2022-03-31
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
7ZER
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BU of 7zer by Molmil
Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP
Descriptor: 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Putkaradze, N, Fredslund, F, Welner, D.H.
Deposit date:2022-03-31
Release date:2022-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
7ZA4
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BU of 7za4 by Molmil
GSTF sh155 mutant
Descriptor: Glutathione transferase, SODIUM ION
Authors:Papageorgiou, A.C.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops.
Int J Mol Sci, 23, 2022
7PWS
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BU of 7pws by Molmil
PARP15 catalytic domain in complex with OUL255
Descriptor: 6-(cyclobutylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-10-07
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
7PWR
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BU of 7pwr by Molmil
PARP15 catalytic domain in complex with OUL254
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclopentylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-10-07
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
7PWU
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BU of 7pwu by Molmil
PARP15 catalytic domain in complex with OUL256
Descriptor: 6-(cyclopropylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-10-07
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
7PQR
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BU of 7pqr by Molmil
LsAA9A expressed in E. coli
Descriptor: ACETATE ION, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Muderspach, S.J, Metherall, J, Ipsen, J, Rollan, C.H, Norholm, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-09-20
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
6M95
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BU of 6m95 by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
Descriptor: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14
Authors:Lane, W, Okada, K.
Deposit date:2018-08-22
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
7PXW
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BU of 7pxw by Molmil
LPMO, expressed in E.coli, in complex with Cellotetraose
Descriptor: Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION, ...
Authors:Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J, Rollan, C.H, Norholm, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022

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數據於2024-07-17公開中

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