6JHM
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5WYQ
| Crystal Structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | Descriptor: | S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W, McBee, M.E, Maenpuen, S, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M, Chaiyen, P. | Deposit date: | 2017-01-15 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa. Rna, 2019
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5ZYR
| Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, ... | Authors: | Oonanant, W, Phongsak, T, Sucharitakul, J, Chaiyen, P, Yuvaniyama, J. | Deposit date: | 2018-05-28 | Release date: | 2019-06-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.20001316 Å) | Cite: | Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii To Be Published
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7CU2
| CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE THAL IN COMPLEX WITH REDUCED FAD | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase | Authors: | Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P. | Deposit date: | 2020-08-20 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dissecting the low catalytic capability of flavin-dependent halogenases. J.Biol.Chem., 296, 2020
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7CU0
| Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan | Descriptor: | TRYPTOPHAN, Tryptophan 6-halogenase | Authors: | Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P. | Deposit date: | 2020-08-20 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dissecting the low catalytic capability of flavin-dependent halogenases. J.Biol.Chem., 296, 2020
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7CU1
| CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE (THAL) IN COMPLEX WITH FAD and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase | Authors: | Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P. | Deposit date: | 2020-08-20 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Dissecting the low catalytic capability of flavin-dependent halogenases. J.Biol.Chem., 296, 2020
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7E8P
| Crystal structure of a Flavin-dependent Monooxygenase HadA wild type complexed with reduced FAD and 4-nitrophenol | Descriptor: | Chlorophenol monooxygenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, P-NITROPHENOL | Authors: | Pimviriyakul, P, Jaruwat, A, Chitnumsub, P, Chaiyen, P. | Deposit date: | 2021-03-02 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into a flavin-dependent dehalogenase HadA explain catalysis and substrate inhibition via quadruple pi-stacking. J.Biol.Chem., 297, 2021
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7E8Q
| Crystal structure of a Flavin-dependent Monooxygenase HadA F441V mutant complexed with reduced FAD and 4-nitrophenol | Descriptor: | Chlorophenol monooxygenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, P-NITROPHENOL | Authors: | Pimviriyakul, P, Jaruwat, A, Chitnumsub, P, Chaiyen, P. | Deposit date: | 2021-03-02 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into a flavin-dependent dehalogenase HadA explain catalysis and substrate inhibition via quadruple pi-stacking. J.Biol.Chem., 297, 2021
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7ET9
| Crystal structure of AbHpaI-Zn-pyruvate complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, PYRUVIC ACID, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETE
| Crystal structure of AbHpaI-Mg-(4R)-KDGal complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid, 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ET8
| Crystal structure of thermostable AbHpaI, a class II metal dependent pyruvate aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETI
| Crystal structure of AbHpaI-Zn-pyruvate-4-hydroxybenzaldehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, P-HYDROXYBENZALDEHYDE, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETF
| Crystal structure of AbHpaI-Mn-pyruvate-succinic semialdehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, 4-oxobutanoic acid, CALCIUM ION, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETB
| Crystal structure of AbHpaI-Mn-pyruvate complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETA
| Crystal structure of AbHpaI-Co-pyruvate complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, COBALT (II) ION, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETG
| Crystal structure of AbHpaI-Co-pyruvate-succinic semialdehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, 4-oxobutanoic acid, CALCIUM ION, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETH
| Crystal structure of AbHpaI-Zn-pyruvate-propionaldehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, PROPANAL, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETC
| Crystal structure of AbHpaI-Zn-(4R)-KDGal complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid, 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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7ETD
| Crystal structure of AbHpaI-Zn-(4S)-KDGlu complex, Class II aldolase, HpaI from Acinetobacter baumannii | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, ... | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | Deposit date: | 2021-05-12 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii. J.Biol.Chem., 297, 2021
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5ZC2
| Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH), reductase component (C1) | Descriptor: | FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, reductase component | Authors: | Yuenyao, A, Petchyam, N, Chaiyen, P, Pakotiprapha, D. | Deposit date: | 2018-02-14 | Release date: | 2018-08-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.898 Å) | Cite: | Crystal structure of the flavin reductase of Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH) and identification of amino acid residues underlying its regulation by aromatic ligands Arch. Biochem. Biophys., 653, 2018
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5XMR
| Plasmodium vivax SHMT(C346A) bound with PLP-glycine and GS395 | Descriptor: | (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | Deposit date: | 2017-05-16 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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5XMS
| Plasmodium vivax SHMT bound with PLP-glycine and GS498 | Descriptor: | (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | Deposit date: | 2017-05-16 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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5XMP
| Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057 | Descriptor: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | Deposit date: | 2017-05-16 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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8IQ8
| Crystal structure of 3,4-dihydroxyphenylacetate 2,3-dioxygenase (DHPAO) from Acinetobacter baumannii | Descriptor: | 3,4-dihydroxyphenylacetate 2,3-dioxygenase, SODIUM ION | Authors: | Chitnumsub, P, Maenpuen, S. | Deposit date: | 2023-03-16 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and biochemical characterization of an extradiol 3,4-dihydroxyphenylacetate 2,3-dioxygenase from Acinetobacter baumannii. Arch.Biochem.Biophys., 747, 2023
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4TN4
| Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | Descriptor: | (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | Deposit date: | 2014-06-03 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities. J.Med.Chem., 58, 2015
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