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7GTK
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BU of 7gtk by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000552a
分子名称: (4R)-2-(2-hydroxyethyl)-4-methoxy-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTP
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BU of 7gtp by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000688a
分子名称: (4-acetylphenoxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTU
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BU of 7gtu by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000297a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(2-acetylphenyl)sulfanyl]benzoic acid, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GS9
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BU of 7gs9 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000631a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSE
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BU of 7gse by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000383a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSG
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BU of 7gsg by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000316a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 4-sulfamoylbenzoate
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
4FNI
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BU of 4fni by Molmil
Crystal structure of IsdI-W66Y in complex with heme and cyanide
分子名称: CYANIDE ION, Heme-degrading monooxygenase isdI, MAGNESIUM ION, ...
著者Ukpabi, G.N, Murphy, M.E.P.
登録日2012-06-19
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling.
J.Biol.Chem., 287, 2012
2AF0
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BU of 2af0 by Molmil
Structure of the Regulator of G-Protein Signaling Domain of RGS2
分子名称: Regulator of G-protein signaling 2
著者Papagrigoriou, E, Johannson, C, Phillips, C, Smee, C, Elkins, J.M, Weigelt, J, Arrowsmith, C, Edwards, A, Sundstrom, M, Von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2005-07-25
公開日2005-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2AFS
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BU of 2afs by Molmil
Crystal structure of the genetic mutant R54W of human glutaminyl cyclase
分子名称: Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION
著者Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J.
登録日2005-07-26
公開日2005-08-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
5T7E
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BU of 5t7e by Molmil
Crystal structure of Streptomyces hygroscopicus Bialaphos Resistance (BAR) protein in complex with Coenzyme A and L-phosphinothricin
分子名称: COENZYME A, PHOSPHINOTHRICIN, Phosphinothricin N-acetyltransferase, ...
著者Christ, B, Weng, J.K.
登録日2016-09-04
公開日2017-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Non-specific activities of the major herbicide-resistance gene BAR.
Nat Plants, 3, 2017
2AFZ
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BU of 2afz by Molmil
Crystal structure of human glutaminyl cyclase in complex with 1-vinylimidazole
分子名称: 1-VINYLIMIDAZOLE, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
著者Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J.
登録日2005-07-26
公開日2005-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
2XDC
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BU of 2xdc by Molmil
Structure of linear gramicidin D obtained using Type I crystals grown in a lipid cubic phase.
分子名称: GRAMICIDIN A, POLYETHYLENE GLYCOL (N=34), SODIUM ION
著者Hoefer, N, Aragao, D, Caffrey, M.
登録日2010-04-30
公開日2010-08-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallizing Transmembrane Peptides in Lipidic Mesophases
Biophys.J., 99, 2010
2Y5M
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BU of 2y5m by Molmil
STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 7.7 MONOACYLGLYCEROL LIPID CUBIC PHASE.
分子名称: POLYETHYLENE GLYCOL (N=34), VAL-GRAMICIDIN A
著者Hoefer, N, Aragao, D, Caffrey, M.
登録日2011-01-14
公開日2011-05-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide
Cryst.Growth Des., 11, 2011
2AFU
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BU of 2afu by Molmil
Crystal structure of human glutaminyl cyclase in complex with glutamine t-butyl ester
分子名称: Glutaminyl-peptide cyclotransferase, TERT-BUTYL D-ALPHA-GLUTAMINATE, ZINC ION
著者Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J.
登録日2005-07-26
公開日2005-08-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
7H5E
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BU of 7h5e by Molmil
Crystal structure of endothiapepsin PN_RT2 in complex with AC40075 at 296 K
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H58
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BU of 7h58 by Molmil
Crystal structure of endothiapepsin PF_RT2 in complex with AC39729 at 296 K
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5C
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BU of 7h5c by Molmil
Crystal structure of endothiapepsin PN_cryo3 in complex with AC40075 at 100 K
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H57
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BU of 7h57 by Molmil
Crystal structure of endothiapepsin PF_cryo1 in complex with AC39729 at 100 K
分子名称: 5-fluoranylpyridin-2-amine, DIMETHYL SULFOXIDE, Endothiapepsin
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5B
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BU of 7h5b by Molmil
Crystal structure of endothiapepsin IS_RT2 in complex with AC39729 at 296 K
分子名称: 5-fluoranylpyridin-2-amine, DIMETHYL SULFOXIDE, Endothiapepsin
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.122 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5H
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BU of 7h5h by Molmil
Crystal structure of endothiapepsin PF_RT2 in complex with AC40075 at 296 K
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5K
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BU of 7h5k by Molmil
Crystal structure of endothiapepsin IS_RT2 in complex with AC40075 at 296 K
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.027 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5O
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BU of 7h5o by Molmil
Crystal structure of endothiapepsin PF_cryo3 in complex with TL00150 at 100 K
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
7H5R
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BU of 7h5r by Molmil
Crystal structure of endothiapepsin IS_cryo3 in complex with TL00150 at 100 K
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
2A1M
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BU of 2a1m by Molmil
Crystal structure of ferrous dioxygen complex of wild-type cytochrome P450cam
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
著者Nagano, S, Poulos, T.L.
登録日2005-06-20
公開日2005-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism
J.Biol.Chem., 280, 2005
7H59
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BU of 7h59 by Molmil
Crystal structure of endothiapepsin IS_cryo3 in complex with AC39729 at 100 K
分子名称: 5-fluoranylpyridin-2-amine, DIMETHYL SULFOXIDE, Endothiapepsin
著者Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M.
登録日2024-04-10
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024

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