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6XE3
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BU of 6xe3 by Molmil
Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
Descriptor: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2020-06-11
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
6XSY
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BU of 6xsy by Molmil
The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine (KOU) at the beta-site
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Mueller, L.J, Dunn, M.F.
Deposit date:2020-07-16
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine (KOU) at the beta-site.
To be Published
2JF6
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BU of 2jf6 by Molmil
Structure of inactive mutant of Strictosidine Glucosidase in complex with strictosidine
Descriptor: METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
Authors:Barleben, L, Panjikar, S, Ruppert, M, Koepke, J, Stockigt, J.
Deposit date:2007-01-26
Release date:2008-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Molecular Architecture of Strictosidine Glucosidase - the Gateway to the Biosynthesis of the Monoterpenoid Indole Alkaloid Family
Plant Cell, 19, 2007
2PUQ
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BU of 2puq by Molmil
Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
Descriptor: CALCIUM ION, Coagulation factor VII, TRP-TYR-THR-ARG CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Bjelke, J.R, Rasmussen, H.B.
Deposit date:2007-05-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Engineering the substrate and inhibitor specificities of human coagulation Factor VIIa
Biochem.J., 405, 2007
4KKX
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BU of 4kkx by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2013-05-06
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
3WNU
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BU of 3wnu by Molmil
The crystal structure of catalase-peroxidase, KatG, from Synechococcus PCC7942
Descriptor: Catalase-peroxidase, HEME B/C, SODIUM ION
Authors:Tada, T, Wada, K, Kamachi, S.
Deposit date:2013-12-17
Release date:2014-03-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The 2.2 angstrom resolution structure of the catalase-peroxidase KatG from Synechococcus elongatus PCC7942.
Acta Crystallogr.,Sect.F, 70, 2014
5HZ1
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BU of 5hz1 by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASP-PTR-TRP-ARG-ALA-LYS-HIS-HIS-PRO-HYP-LYS-ASN-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-03-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Plant Receptor
To Be Published
2AJE
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BU of 2aje by Molmil
Solution structure of the Arabidopsis thaliana telomeric repeat-binding protein DNA binding domain
Descriptor: telomere repeat-binding protein
Authors:Hsiao, H.H, Sue, S.C, Chung, B.C, Cheng, Y.H, Huang, T.H.
Deposit date:2005-08-01
Release date:2006-07-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Arabidopsis thaliana telomeric repeat-binding protein DNA binding domain: a new fold with an additional C-terminal helix
J.Mol.Biol., 356, 2006
5WMW
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BU of 5wmw by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
2C3Q
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BU of 2c3q by Molmil
Human glutathione-S-transferase T1-1 W234R mutant, complex with S- hexylglutathione
Descriptor: GLUTATHIONE S-TRANSFERASE THETA 1, IODIDE ION, S-HEXYLGLUTATHIONE
Authors:Tars, K, Larsson, A.-K, Shokeer, A, Olin, B, Mannervik, B, Kleywegt, G.J.
Deposit date:2005-10-11
Release date:2005-11-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis of the Suppressed Catalytic Activity of Wild-Type Human Glutathione Transferase T1-1 Compared to its W234R Mutant.
J.Mol.Biol., 355, 2006
5HZ0
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BU of 5hz0 by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASP-PTR-TRP-LYS-PRO-ARG-HIS-HIS-PRO-HYP-ARG-ASN-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-04-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Plant Receptor
To Be Published
5WN8
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BU of 5wn8 by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lewis-Ballester, A, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L, Yeh, S.R.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
2C3T
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BU of 2c3t by Molmil
Human glutathione-S-transferase T1-1, W234R mutant, apo form
Descriptor: GLUTATHIONE S-TRANSFERASE THETA 1
Authors:Tars, K, Larsson, A.-K, Shokeer, A, Olin, B, Mannervik, B, Kleywegt, G.J.
Deposit date:2005-10-12
Release date:2005-11-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of the Suppressed Catalytic Activity of Wild-Type Human Glutathione Transferase T1-1 Compared to its W234R Mutant.
J.Mol.Biol., 355, 2006
1JA1
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BU of 1ja1 by Molmil
CYPOR-Triple Mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Hubbard, P.A, Shen, A.L, Paschke, R, Kasper, C.B, Kim, J.J.
Deposit date:2001-05-29
Release date:2001-08-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:NADPH-cytochrome P450 oxidoreductase. Structural basis for hydride and electron transfer.
J.Biol.Chem., 276, 2001
2W23
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BU of 2w23 by Molmil
Structure of mutant W169Y of Pleurotus eryngii versatile peroxidase (VP)
Descriptor: CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ruiz-Duenas, F.J, Pogni, R, Morales, M, Giansanti, S, Mate, M.J, Romero, A, Martinez, M.J, Basosi, R, Martinez, A.T.
Deposit date:2008-10-23
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Protein Radicals in Fungal Versatile Peroxidase: Catalytic Tryptophan Radical in Both Compound I and Compound II and Studies on W164Y, W164H, and W164S Variants.
J.Biol.Chem., 284, 2009
2RHG
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BU of 2rhg by Molmil
Tryptophan synthase complexed with IGP, pH 7.0, internal aldimine
Descriptor: INDOLE-3-GLYCEROL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Kulik, V, Barends, T, Schlichting, I.
Deposit date:2007-10-09
Release date:2007-11-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tryptophan synthase complexed with IGP, pH 7.0, internal aldimine
To be Published
6YGL
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BU of 6ygl by Molmil
TGT W326F mutant labelled mit 5F-Trp crystallised at pH 5.5
Descriptor: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Nguyen, A, Heine, A, Klebe, G.
Deposit date:2020-03-27
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mutation study on tRNA-guanine transglycosylase within 19F NMR experiments for conformational change analysis
To Be Published
3KT0
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BU of 3kt0 by Molmil
Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase
Descriptor: (2S)-1-{[(2S)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine, Tryptophanyl-tRNA synthetase, cytoplasmic
Authors:Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J.
Deposit date:2009-11-24
Release date:2010-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Nucleic Acids Res., 38, 2010
8B06
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BU of 8b06 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec
Descriptor: CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B03
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BU of 8b03 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 0 sec
Descriptor: CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B08
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BU of 8b08 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 30 sec
Descriptor: CESIUM ION, CHLORIDE ION, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B05
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BU of 8b05 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec
Descriptor: CESIUM ION, CHLORIDE ION, INDOLE, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
6WX3
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BU of 6wx3 by Molmil
High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form.
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2020-05-09
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form.
To be Published
6XIN
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BU of 6xin by Molmil
The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site.
Descriptor: (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide, 1,2-ETHANEDIOL, CESIUM ION, ...
Authors:Hilario, E, Chang, C, Mueller, L.J, Dunn, M.F, Fan, L.
Deposit date:2020-06-20
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site.
To Be Published
5SYV
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BU of 5syv by Molmil
Crystal structure of Burkholderia pseudomallei KatG N240D variant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-12
Release date:2016-09-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017

222926

數據於2024-07-24公開中

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