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6YCN
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BU of 6ycn by Molmil
Crystal structure of GcoA F169A bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCI
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BU of 6yci by Molmil
Crystal structure of GcoA T296G bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCL
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BU of 6ycl by Molmil
Crystal structure of GcoA T296G bound to p-vanillin
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCO
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BU of 6yco by Molmil
Crystal structure of GcoA F169S bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
1I2Z
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BU of 1i2z by Molmil
E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654
分子名称: 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
登録日2001-02-12
公開日2002-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
5N09
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BU of 5n09 by Molmil
Crystal structure of L107C/A313C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 - Heavy chain, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 - Light chain, ...
著者Duquerroy, S, Rouvinski, A, Guardado-Calvo, P, Vaney, M.-C, Sharma, A, Rey, F.
登録日2017-02-02
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope.
Nat Commun, 8, 2017
5N0A
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BU of 5n0a by Molmil
Crystal structure of A259C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11
分子名称: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 HEAVY CHAIN, Envelope Glycoprotein E, ...
著者Vaney, M.C, Rouvinski, A, Guardado-Calvo, P, Sharma, A, Rey, F.A.
登録日2017-02-02
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope.
Nat Commun, 8, 2017
1I30
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BU of 1i30 by Molmil
E. Coli Enoyl Reductase +NAD+SB385826
分子名称: 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X.
登録日2001-02-12
公開日2002-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
Bioorg.Med.Chem.Lett., 11, 2001
1FO0
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BU of 1fo0 by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
分子名称: NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ...
著者Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G.
登録日2000-08-24
公開日2000-10-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000
1G0V
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BU of 1g0v by Molmil
THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEASE A INHIBITOR 3, PROTEINASE A, ...
著者Phylip, L.H, Lees, W, Brownsey, B.G, Bur, D, Dunn, B.M, Winther, J, Gustchina, A, Li, M, Copeland, T, Wlodawer, A, Kay, J.
登録日2000-10-09
公開日2001-04-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potency and specificity of the interaction between the IA3 inhibitor and its target aspartic proteinase from Saccharomyces cerevisiae.
J.Biol.Chem., 276, 2001
1GFW
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BU of 1gfw by Molmil
THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
分子名称: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
著者Concha, N.O, Janson, C.A.
登録日2000-06-16
公開日2000-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
1HSJ
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BU of 1hsj by Molmil
SARR MBP FUSION STRUCTURE
分子名称: FUSION PROTEIN CONSISTING OF STAPHYLOCOCCUS ACCESSORY REGULATOR PROTEIN R AND MALTOSE BINDING PROTEIN, alpha-D-glucopyranose
著者Zhang, G.
登録日2000-12-26
公開日2001-06-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the SarR protein from Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 98, 2001
2MCW
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BU of 2mcw by Molmil
Solid-state NMR structure of piscidin 3 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers
分子名称: Piscidin-3
著者Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Pastor, R.W, Cotten, M.L.
登録日2013-08-27
公開日2014-01-22
最終更新日2014-03-19
実験手法SOLID-STATE NMR
主引用文献High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
2MCV
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BU of 2mcv by Molmil
Solid-state NMR structure of piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers
分子名称: Moronecidin
著者Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Hayden, R.M, Pastor, R.W, Cotten, M.L.
登録日2013-08-27
公開日2014-01-22
最終更新日2014-03-19
実験手法SOLID-STATE NMR
主引用文献High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
2OXP
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BU of 2oxp by Molmil
Crystal Structure of Staphylococcal Nuclease mutant V66D/P117G/H124L/S128A
分子名称: THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Garcia-Moreno, E.B, Gittis, A.G, Karp, D.A.
登録日2007-02-20
公開日2007-03-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High apparent dielectric constant inside a protein reflects structural reorganization coupled to the ionization of an internal asp
Biophys.J., 92, 2007
2MCU
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BU of 2mcu by Molmil
Solid-state NMR structure of piscidin 1 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers
分子名称: Moronecidin
著者Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Pastor, R.W, Cotten, M.L.
登録日2013-08-27
公開日2014-01-22
最終更新日2014-03-19
実験手法SOLID-STATE NMR
主引用文献High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
2QSQ
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BU of 2qsq by Molmil
Crystal structure of the N-terminal domain of carcinoembryonic antigen (CEA)
分子名称: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 5, GLYCEROL
著者Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E.
登録日2007-07-31
公開日2008-01-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
7QDT
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BU of 7qdt by Molmil
Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations.
分子名称: 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha
著者Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J.
登録日2021-11-30
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha.
Mol.Cell.Biol., 42, 2022
7QJQ
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BU of 7qjq by Molmil
Crystal structure of a cutinase enzyme from Thermobifida fusca NTU22 (702)
分子名称: Acetylxylan esterase, DI(HYDROXYETHYL)ETHER
著者Zahn, M, Gill, R.S, Avilan, L, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
7QJN
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BU of 7qjn by Molmil
Crystal structure of an alpha/beta-hydrolase enzyme from Candidatus Kryptobacter tengchongensis (306)
分子名称: Dienelactone hydrolase, PHOSPHATE ION
著者Zahn, M, Gill, R.S, Erickson, E, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
7QJM
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BU of 7qjm by Molmil
Crystal structure of an alpha/beta-hydrolase enzyme from Chloroflexus sp. MS-G (202)
分子名称: alpha/beta-hydrolase (202)
著者Zahn, M, Graham, R, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
7QJS
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BU of 7qjs by Molmil
Crystal structure of a cutinase enzyme from Thermobifida fusca YX (705)
分子名称: Cutinase 2, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.429 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
7QJP
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BU of 7qjp by Molmil
Crystal structure of a cutinase enzyme from Saccharopolyspora flava (611)
分子名称: Cutinase, TETRAETHYLENE GLYCOL
著者Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
7QJT
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BU of 7qjt by Molmil
Crystal structure of a cutinase enzyme from Thermobifida cellulosilytica TB100 (711)
分子名称: GLYCEROL, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ...
著者Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
7QJR
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BU of 7qjr by Molmil
Crystal structure of cutinase 1 from Thermobifida fusca DSM44342 (703)
分子名称: Cutinase 1, TETRAETHYLENE GLYCOL
著者Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022

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