1KC1
 
 | | Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH | | 分子名称: | MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | 著者 | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | | 登録日 | 2001-11-07 | | 公開日 | 2002-06-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
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6WX3
 | | 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. | | 分子名称: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | 登録日 | 2020-05-09 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | 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
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6X0C
 | | Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and aminoacrylate and benzimidazole at the enzyme beta site | | 分子名称: | 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ... | | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | 登録日 | 2020-05-15 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | External aldimine form of Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and benzimidazole at the enzyme beta site.
To be Published
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6WDU
 | | The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. | | 分子名称: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J. | | 登録日 | 2020-04-01 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
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1KD2
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1KFE
 | | CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH L-Ser Bound To The Beta Site | | 分子名称: | SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, TRYPTOPHAN SYNTHASE BETA CHAIN, ... | | 著者 | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | 登録日 | 2001-11-20 | | 公開日 | 2003-01-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | On the Role of AlphaTHR183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase
J.Mol.Biol., 324, 2002
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1KFC
 | | CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM With Indole Propanol Phosphate | | 分子名称: | INDOLE-3-PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | 著者 | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | 登録日 | 2001-11-20 | | 公開日 | 2003-01-07 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | On the Role of AlphaTHR183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase
J.Mol.Biol., 324, 2002
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6WVZ
 | | Crystal structure of anti-MET Fab arm of amivantamab in complex with human MET | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Cardoso, R.M.F. | | 登録日 | 2020-05-07 | | 公開日 | 2021-04-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET.
J.Biol.Chem., 296, 2021
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1KFJ
 | | CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH L-SERINE | | 分子名称: | SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, TRYPTOPHAN SYNTHASE BETA CHAIN, ... | | 著者 | Kulik, V, Weyand, M, Seidel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | 登録日 | 2001-11-21 | | 公開日 | 2003-10-21 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | On the role of alphaThr183 in the allosteric regulation and catalytic mechanism of tryptophan synthase.
J.Mol.Biol., 324, 2002
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1KFB
 | | CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM WITH Indole Glycerol Phosphate | | 分子名称: | INDOLE-3-GLYCEROL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... | | 著者 | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | 登録日 | 2001-11-20 | | 公開日 | 2003-01-07 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | On the Role of alphaTHR183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase
J.Mol.Biol., 324, 2002
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1KFK
 | | Crystal structure of Tryptophan Synthase From Salmonella Typhimurium | | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... | | 著者 | Kulik, V, Weyand, M, Seidel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | 登録日 | 2001-11-21 | | 公開日 | 2003-10-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | On the role of alphaThr183 in the allosteric regulation and catalytic mechanism of tryptophan synthase.
J.Mol.Biol., 324, 2002
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6XE3
 | | 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. | | 分子名称: | (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, ... | | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | 登録日 | 2020-06-11 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | 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
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7OP7
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine | | 分子名称: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | 著者 | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2021-05-29 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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7OMS
 | | Bs164 in complex with mannocyclophellitol aziridine | | 分子名称: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J. | | 登録日 | 2021-05-24 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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8FHU
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8FHL
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6XIN
 | | 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. | | 分子名称: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide, 1,2-ETHANEDIOL, CESIUM ION, ... | | 著者 | Hilario, E, Chang, C, Mueller, L.J, Dunn, M.F, Fan, L. | | 登録日 | 2020-06-20 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 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
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7OP6
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine | | 分子名称: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | 著者 | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2021-05-29 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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6XSY
 | | 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 | | 分子名称: | (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, ... | | 著者 | Hilario, E, Mueller, L.J, Dunn, M.F. | | 登録日 | 2020-07-16 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | 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
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8T1T
 | | Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAM) | | 分子名称: | Alpha-N-methyltransferase (SonM), RiPP precursor (SonA), S-ADENOSYLMETHIONINE, ... | | 著者 | Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F. | | 登録日 | 2023-06-03 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
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8T1S
 | | Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAH) | | 分子名称: | Alpha-N-methyltransferase, Extradiol ring-cleavage dioxygenase LigAB LigA subunit domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F. | | 登録日 | 2023-06-03 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
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6Y3Y
 | | Human Coronavirus HKU1 Haemagglutinin-Esterase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | | 著者 | Hurdiss, D.L, Drulyte, I, Pronker, M.F. | | 登録日 | 2020-02-19 | | 公開日 | 2020-04-08 | | 最終更新日 | 2020-09-30 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | Cryo-EM structure of coronavirus-HKU1 haemagglutinin esterase reveals architectural changes arising from prolonged circulation in humans.
Nat Commun, 11, 2020
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7OYL
 | | Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate | | 分子名称: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | 著者 | Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F. | | 登録日 | 2021-06-24 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
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7P5O
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8FR7
 | | A hinge glycan regulates spike bending and impacts coronavirus infectivity | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W. | | 登録日 | 2023-01-06 | | 公開日 | 2023-10-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | Structural insights into the modulation of coronavirus spike tilting and infectivity by hinge glycans.
Nat Commun, 14, 2023
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