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PDB: 118 件

5LTV
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BU of 5ltv by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECPETOR PCTC IN COMPLEX WITH GABA
分子名称: ACETATE ION, Chemotactic transducer PctC, GAMMA-AMINO-BUTANOIC ACID, ...
著者Gavira, J.A, Rico-Jimenez, M, Conejero-Muriel, M, Krell, T.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
5LTX
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BU of 5ltx by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-MET
分子名称: ACETATE ION, Chemotaxis protein, FORMIC ACID, ...
著者Gavira, J.A, Rico-Gimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
2BDZ
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BU of 2bdz by Molmil
Mexicain from Jacaratia mexicana
分子名称: Mexicain, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Gavira, J.A, Oliver-Salvador, M.C, Gonzalez-Ramirez, L.A, Soriano-Garcia, M, Garcia-Ruiz, J.M.
登録日2005-10-21
公開日2006-10-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic structure of Mexicain from Jacaratia mexicana
To be Published
2YFB
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BU of 2yfb by Molmil
X-ray structure of McpS ligand binding domain in complex with succinate
分子名称: ACETATE ION, METHYL-ACCEPTING CHEMOTAXIS TRANSDUCER, SUCCINIC ACID, ...
著者Gavira, J.A, Pineda-Molina, E, Krell, T.
登録日2011-04-05
公開日2012-04-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evidence for Chemoreceptors with Bimodular Ligand-Binding Regions Harboring Two Signal-Binding Sites.
Proc.Natl.Acad.Sci.USA, 109, 2012
5T65
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BU of 5t65 by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-ILE
分子名称: ACETATE ION, ISOLEUCINE, Methyl-accepting chemotaxis protein PctA, ...
著者Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
登録日2016-09-01
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
5T7M
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BU of 5t7m by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-TRP
分子名称: ACETATE ION, Chemotaxis protein, SODIUM ION, ...
著者Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
登録日2016-09-05
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
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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BU of 6txd by Molmil
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
6TY6
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BU of 6ty6 by Molmil
Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog)
分子名称: 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ...
著者Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F.
登録日2020-01-15
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
6GJF
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BU of 6gjf by Molmil
Ancestral endocellulase Cel5A
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ENDOGLUCANASE, ...
著者Gavira, J.A, Perez-Jimenez, R, Barruetabena-Garate, N.
登録日2018-05-16
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis
Commun Chem, 2019
6HW1
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BU of 6hw1 by Molmil
ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ...
著者Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C.
登録日2018-10-11
公開日2018-10-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6F9G
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BU of 6f9g by Molmil
Ligand binding domain of P. putida KT2440 polyamine chemorecpetors McpU in complex putrescine.
分子名称: 1,4-DIAMINOBUTANE, ACETATE ION, GLYCEROL, ...
著者Gavira, J.A, Conejero-Muriel, M.T, Ortega, A, Martin-Mora, D, Corral-Lugo, A, Morel, B, Krell, T.
登録日2017-12-14
公開日2018-03-28
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Structural Basis for Polyamine Binding at the dCACHE Domain of the McpU Chemoreceptor from Pseudomonas putida.
J. Mol. Biol., 430, 2018
6GCV
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BU of 6gcv by Molmil
Ligand binding domain (LBD) of the p. aeruginosa nitrate receptor McpN
分子名称: ACETATE ION, Chemotaxis transducer, NITRATE ION, ...
著者Gavira, J.A, Krell, T, Martin-Mora, D, Ortega, A.
登録日2018-04-19
公開日2018-09-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Molecular Mechanism of Nitrate Chemotaxis via Direct Ligand Binding to the PilJ Domain of McpN.
MBio, 10, 2019
6FU4
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BU of 6fu4 by Molmil
Ligand binding domain (LBD) of the p. aeruginosa histamine receptor TlpQ
分子名称: ACETATE ION, GLYCEROL, HISTAMINE, ...
著者Gavira, J.A, Krell, T, Conejero-Muriel, M, Corral-Lugo, A, Matilla, M.A, Silva Jimenez, H, Mesa Torres, N, Martin-Mora, D.
登録日2018-02-26
公開日2018-05-16
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献High-Affinity Chemotaxis to Histamine Mediated by the TlpQ Chemoreceptor of the Human Pathogen Pseudomonas aeruginosa.
MBio, 9, 2018
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
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
7PTH
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BU of 7pth by Molmil
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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BU of 7ptj by Molmil
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
6YBR
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BU of 6ybr by Molmil
RT structure of Glucose Isomerase obtained at 1.20 A resolution from crystal grown in a Mylar microchip.
分子名称: MAGNESIUM ION, SODIUM ION, Xylose isomerase
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2020-03-17
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Attaining atomic resolution from in situ data collection at room temperature using counter-diffusion-based low-cost microchips.
Acta Crystallogr D Struct Biol, 76, 2020
6YMZ
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BU of 6ymz by Molmil
Structure of the CheB methylsterase from P. atrosepticum SCRI1043
分子名称: ACETATE ION, GLYCEROL, Protein-glutamate methylesterase/protein-glutamine glutaminase, ...
著者Gavira, J.A, Krell, T, Velando-Soriano, F, Matilla, M.A.
登録日2020-04-10
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evidence for Pentapeptide-Dependent and Independent CheB Methylesterases.
Int J Mol Sci, 21, 2020
6YRS
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BU of 6yrs by Molmil
Structure of a new variant of GNCA ancestral beta-lactamase
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B.
登録日2020-04-20
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity.
Nat Commun, 12, 2021
3PI3
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BU of 3pi3 by Molmil
Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 5.0
分子名称: Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M.
登録日2010-11-05
公開日2011-11-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata
To be Published
3PI2
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BU of 3pi2 by Molmil
Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 8.0
分子名称: FORMIC ACID, Hemoglobin II, OXYGEN MOLECULE, ...
著者Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M.
登録日2010-11-05
公開日2011-11-09
最終更新日2016-12-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata
To be Published
3PI4
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BU of 3pi4 by Molmil
Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 4.0
分子名称: Hemoglobin II, PROTOPORPHYRIN IX CONTAINING FE
著者Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M.
登録日2010-11-05
公開日2011-11-09
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata
To be Published
7APN
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BU of 7apn by Molmil
Structure of Lipase TL from bulk agarose grown crystal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lipase, ...
著者Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C.
登録日2020-10-19
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Production of Cross-Linked Lipase Crystals at a Preparative Scale.
Cryst.Growth Des., 21, 2021

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