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6II7
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BU of 6ii7 by Molmil
Crystal structure of Plasmodium falciparum adenosine deaminase C27Q+L227I mutant co-complexed with Zn ion, hypoxanthine and inosine
Descriptor: Adenosine deaminase, HYPOXANTHINE, INOSINE, ...
Authors:Chitnumsub, P, Jaruwat, A.
Deposit date:2018-10-03
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of Plasmodium falciparum adenosine deaminase reveals a novel binding pocket for inosine.
Arch. Biochem. Biophys., 667, 2019
6JHM
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BU of 6jhm by Molmil
Crystal structure of Flavin-dependent Monooxygenase HadA
Descriptor: Chlorophenol monooxygenase
Authors:Jaruwat, A, Pimviriyakul, P, Chitnumsub, P, Chaiyen, P.
Deposit date:2019-02-18
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a Hotspot Residue for Improving the Thermostability of a Flavin-Dependent Monooxygenase.
Chembiochem, 20, 2019
4TN4
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BU of 4tn4 by Molmil
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
4TMR
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BU of 4tmr by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate .
Descriptor: CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C.
Deposit date:2014-06-02
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
7CU2
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BU of 7cu2 by Molmil
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
7CU0
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BU of 7cu0 by Molmil
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
5GVP
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BU of 5gvp by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS654
Descriptor: 3-[3-[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]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
Deposit date:2016-09-06
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVN
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BU of 5gvn by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS653
Descriptor: 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
Deposit date:2016-09-06
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVL
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BU of 5gvl by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS182
Descriptor: (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]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.
Deposit date:2016-09-06
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVM
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BU of 5gvm by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS557
Descriptor: 2-[3-[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]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
Deposit date:2016-09-06
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVK
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BU of 5gvk by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS256
Descriptor: 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
Deposit date:2016-09-06
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
4O6Z
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BU of 4o6z by Molmil
Crystal structure of serine hydroxymethyltransferase with covalently bound PLP Schiff-base from Plasmodium falciparum
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2013-12-24
Release date:2014-06-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:The structure of Plasmodium falciparum serine hydroxymethyltransferase reveals a novel redox switch that regulates its activities.
Acta Crystallogr.,Sect.D, 70, 2014
4OYT
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BU of 4oyt by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid
Descriptor: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-02-13
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
4PFN
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BU of 4pfn by Molmil
Crystal structure of Plasmodium vivax SHMT with L-serine Schiff base
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-04-30
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
4PFF
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BU of 4pff by Molmil
Crystal structure of Plasmodium vivax SHMT with PLP Schiff base
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, putative
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-04-29
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
7CU1
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BU of 7cu1 by Molmil
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
7ETI
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BU of 7eti by Molmil
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
7ET8
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BU of 7et8 by Molmil
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
7ETC
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BU of 7etc by Molmil
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
7ET9
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BU of 7et9 by Molmil
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
7ETE
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BU of 7ete by Molmil
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
7ETD
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BU of 7etd by Molmil
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
7ETB
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BU of 7etb by Molmil
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
7ETA
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BU of 7eta by Molmil
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
7ETG
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BU of 7etg by Molmil
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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