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6R1S
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BU of 6r1s by Molmil
EthR ligand complex
分子名称: 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR
著者Pohl, E, Tatum, N.
登録日2019-03-14
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019
6PYP
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Binary Complex of Human Glycerol 3-Phosphate Dehydrogenase, R269A mutant
分子名称: 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ...
著者Gulick, A.M.
登録日2019-07-30
公開日2020-07-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase.
Acs Catalysis, 10, 2020
3M4Q
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Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS)
分子名称: Asparaginyl-tRNA synthetase, putative
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-03-11
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray crystal structure of asparaginyl-tRNA synthetase from the eukaryotic human pathogen Entamoeba histolytica.
to be published
8B67
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The crystal structure of M644G variant of DNA Pol Epsilon containing CTP in the polymerase active site
分子名称: ACETATE ION, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Parkash, V, Johansson, E.
登録日2022-09-26
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B6K
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The crystal structure of M644G variant of DNA Pol Epsilon containing dCTP in the polymerase active site
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
著者Parkash, V, Johansson, E.
登録日2022-09-27
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B7E
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BU of 8b7e by Molmil
The crystal structure of N828V variant of DNA Pol Epsilon containing UTP in the polymerase active site
分子名称: CALCIUM ION, DNA polymerase epsilon catalytic subunit A, GLYCEROL, ...
著者Parkash, V, Johansson, E.
登録日2022-09-29
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B79
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The crystal structure of M644G variant of DNA Pol Epsilon containing UTP in the polymerase active site
分子名称: ACETATE ION, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
著者Parkash, V, Johansson, E.
登録日2022-09-29
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B77
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The crystal structure of N828V variant of DNA Pol Epsilon containing dATP in the polymerase active site
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
著者Parkash, V, Johansson, E.
登録日2022-09-29
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B76
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The crystal structure of M644G variant of DNA Pol Epsilon containing dTTP in the polymerase active site
分子名称: ACETATE ION, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
著者Parkash, V, Johansson, E.
登録日2022-09-28
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
3M4P
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Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS) in complex with asparaginyl-adenylate
分子名称: 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparaginyl-tRNA synthetase, putative, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-03-11
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献X-ray crystal structure of asparaginyl-tRNA synthetase from the eukaryotic human pathogen Entamoeba histolytica.
to be published
5AJ9
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G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ...
著者Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2015-02-20
公開日2016-03-16
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5FQQ
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Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE
著者Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQM
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Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase
分子名称: GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION
著者Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M.
登録日2015-12-12
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQK
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W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog)
分子名称: 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.767 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQJ
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W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog)
分子名称: 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D
著者Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQI
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BU of 5fqi by Molmil
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
7Z6R
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BU of 7z6r by Molmil
Psychrobacter arcticus ATPPRT (HisGZ) R56A mutant bound to ATP and PRPP
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
著者Alphey, M.S, Fisher, G, da Silva, R.G.
登録日2022-03-14
公開日2022-03-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
7Z8U
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BU of 7z8u by Molmil
Catalytic subunit HisG R56A mutant from Psychrobacter arcticus ATPPRT (HisGZ) in complex with ATP and PRPP
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
著者Alphey, M.S, Fisher, G, da Silva, R.G.
登録日2022-03-18
公開日2022-03-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
3S4O
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BU of 3s4o by Molmil
Protein Tyrosine Phosphatase (putative) from Leishmania major
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein tyrosine phosphatase-like protein, THIOSULFATE
著者Merritt, E.A, Arakaki, T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP), Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2011-05-19
公開日2011-06-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein Tyrosine Phosphatase from Leishmania major
To be Published
5TIM
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BU of 5tim by Molmil
REFINED 1.83 ANGSTROMS STRUCTURE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE, CRYSTALLIZED IN THE PRESENCE OF 2.4 M-AMMONIUM SULPHATE. A COMPARISON WITH THE STRUCTURE OF THE TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE-GLYCEROL-3-PHOSPHATE COMPLEX
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE
著者Wierenga, R.K, Hol, W.G.J.
登録日1991-04-23
公開日1992-10-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Refined 1.83 A structure of trypanosomal triosephosphate isomerase crystallized in the presence of 2.4 M-ammonium sulphate. A comparison with the structure of the trypanosomal triosephosphate isomerase-glycerol-3-phosphate complex.
J.Mol.Biol., 220, 1991
6AX8
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Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate
分子名称: Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2017-09-06
公開日2018-04-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3SO4
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Methionine-adenosyltransferase from Entamoeba histolytica
分子名称: ACETATE ION, Methionine-adenosyltransferase
著者Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2011-06-29
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Methionine-adenosyltransferase from Entamoeba histolytica
To be Published
6VYE
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BU of 6vye by Molmil
6-phosphogluconolactonase from Trypanosoma cruzi
分子名称: 6-phosphogluconolactonase, GLYCEROL, PHOSPHATE ION
著者Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2020-02-26
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献6-phosphogluconolactonase from Trypanosoma cruzi
To be published
5USF
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BU of 5usf by Molmil
Leishmania donovani tyrosyl-tRNA synthetase in complex with nanobody and inhibitor
分子名称: 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE, Immunoglobulin heavy chain variable region, Tyrosyl-tRNA synthetase, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2017-02-13
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Leishmania donovani tyrosyl-tRNA synthetase structure in complex with a tyrosyl adenylate analog and comparisons with human and protozoan counterparts.
Biochimie, 138, 2017
5WL8
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BU of 5wl8 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (epR4)
分子名称: Engineered Chalcone Isomerase epR4, FORMIC ACID
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018

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