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PDB: 118 件
2YPM
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Crystal Structure of Ancestral Thioredoxin Relative to Last Animal and Fungi Common Ancestor (LAFCA) from the Precambrian Period
分子名称: LAFCA THIOREDOXIN
著者Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2012-10-30
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
2YN1
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Crystal Structure of Ancestral Thioredoxin Relative to Last Gamma- Proteobacteria Common Ancestor (LGPCA) from the Precambrian Period
分子名称: LGPCA THIOREDOXIN, TRIETHYLENE GLYCOL
著者Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2012-10-11
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
5FUQ
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CRYSTAL STRUCTURE OF THE H80R VARIANT OF NQO1 BOUND TO DICOUMAROL
分子名称: ACETATE ION, BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Gavira, J.A, Medina-Carmona, E, Pey, A.L.
登録日2016-01-29
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Enhanced vulnerability of human proteins towards disease-associated inactivation through divergent evolution.
Hum.Mol.Genet., 26, 2017
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
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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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
2YJ7
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Crystal structure of a hyperstable protein from the Precambrian period
分子名称: LPBCA THIOREDOXIN, SODIUM ION
著者Gavira, J.A, Ingles, A, Ibarra, B, Garcia-Ruiz, J.M.
登録日2011-05-19
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
5G3O
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Bacillus cereus formamidase (BceAmiF) inhibited with urea.
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, FORMAMIDASE, ...
著者Gavira, J.A, Martinez-Rodriguez, S, Conejero-Muriel, M.
登録日2016-04-29
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Arch.Biochem.Biophys., 662, 2019
5G3P
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Bacillus cereus formamidase (BceAmiF) acetylated at the active site.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Conejero-Muriel, M, Martinez-Rodriguez, S.
登録日2016-04-29
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Arch.Biochem.Biophys., 662, 2019
2YNX
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BU of 2ynx by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Archaea Common Ancestor (LACA) from the Precambrian Period
分子名称: ACETATE ION, LACA THIOREDOXIN, SODIUM ION
著者Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2012-10-19
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
7Q1L
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BU of 7q1l by Molmil
Glycosilated Human Serum Apo-tranferrin
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D.
登録日2021-10-20
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin.
Int J Mol Sci, 22, 2021
7PTH
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C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2021-09-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PTJ
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C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2021-09-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7QEK
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BU of 7qek by Molmil
Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-piruvic acid (IPA).
分子名称: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, MAGNESIUM ION, regulator AdmX
著者Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A.
登録日2021-12-03
公開日2022-12-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Mbio, 14, 2023
7QEJ
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BU of 7qej by Molmil
Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-acetic acid (IAA).
分子名称: 1H-INDOL-3-YLACETIC ACID, MAGNESIUM ION, TRANSCRIPTIONAL REGULATOR AdmX
著者Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A.
登録日2021-12-03
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Mbio, 14, 2023
7PRR
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BU of 7prr by Molmil
Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with acetylcholine
分子名称: ACETYLCHOLINE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T.
登録日2021-09-22
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
7PRQ
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BU of 7prq by Molmil
Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with choline.
分子名称: 1,2-ETHANEDIOL, CHOLINE ION, GLYCEROL, ...
著者Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T.
登録日2021-09-22
公開日2022-05-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
7PSG
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BU of 7psg by Molmil
Structure of the ligand binding domain of the PacA (ECA2226) chemoreceptor of Pectobacterium atrosepticum SCRI1043 in complex with betaine.
分子名称: GLYCEROL, Methyl-accepting chemotaxis protein, TRIMETHYL GLYCINE
著者Gavira, J.A, Matilla, M.A, Velando, F, Krell, T.
登録日2021-09-23
公開日2022-05-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Mbio, 13, 2022
6S37
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BU of 6s37 by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor
著者Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
登録日2019-06-24
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
6S1A
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BU of 6s1a by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP
分子名称: Aromatic acid chemoreceptor, SULFATE ION
著者Gavira, J.A, Matilla, M.A, Fernandez, M, Krell, T.
登録日2019-06-18
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
6S18
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BU of 6s18 by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP in complex with glycerol
分子名称: Aromatic acid chemoreceptor, CHLORIDE ION, GLYCEROL
著者Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
登録日2019-06-18
公開日2020-10-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
6S3B
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BU of 6s3b by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP in complex with benzoate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aromatic acid chemoreceptor, ...
著者Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
登録日2019-06-24
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
6TWW
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BU of 6tww by Molmil
Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4)
分子名称: ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ...
著者Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L.
登録日2020-01-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
6TXD
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Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4)
分子名称: ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ...
著者Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L.
登録日2020-01-14
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020

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件を2024-08-28に公開中

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