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6PH2
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BU of 6ph2 by Molmil
Complete LOV domain from the LOV-HK sensory protein from Brucella abortus (mutant C69S, construct 15-155)
分子名称: Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE
著者Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S.
登録日2019-06-25
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.
Mbio, 12, 2021
7LRH
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BU of 7lrh by Molmil
C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase)
分子名称: Riboflavin biosynthesis protein RibD, SULFATE ION
著者Bonomi, H.R, Cerutti, M.L, Posadas, D.M, Goldbaum, F.A, Klinke, S.
登録日2021-02-16
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase)
To be published
6PH3
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BU of 6ph3 by Molmil
LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (dark-adapted, construct 15-273)
分子名称: Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE
著者Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S.
登録日2019-06-25
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.
Mbio, 12, 2021
7MHW
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BU of 7mhw by Molmil
Crystal structure of the protease inhibitor U-Omp19 from Brucella abortus fused to Maltose-binding protein
分子名称: Maltose/maltodextrin-binding periplasmic protein,Outer membrane lipoprotein omp19, SULFATE ION
著者Darriba, M.L, Klinke, S, Otero, L.H, Cerutti, M.L, Cassataro, J, Pasquevich, K.A.
登録日2021-04-15
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A disordered region retains the full protease inhibitor activity and the capacity to induce CD8 + T cells in vivo of the oral vaccine adjuvant U-Omp19.
Comput Struct Biotechnol J, 20, 2022
3T50
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BU of 3t50 by Molmil
X-ray structure of the LOV domain from the LOV-HK sensory protein from Brucella abortus (dark state).
分子名称: Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE
著者Rinaldi, J.J, Klinke, S, Goldbaum, F.A.
登録日2011-07-26
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The Beta-Scaffold of the LOV Domain of the Brucella Light-Activated Histidine Kinase Is a Key Element for Signal Transduction
J.Mol.Biol., 420, 2012
8EO7
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BU of 8eo7 by Molmil
Crystal structure of metagenomic beta-lactamase LRA-5 Y69Q/V166E mutant at 2.15 Angstrom resolution
分子名称: beta-lactamase
著者Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
登録日2022-10-02
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
8EO6
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BU of 8eo6 by Molmil
Crystal structure of metagenomic class A beta-lactamase precursor LRA-5 in complex with ceftazidime at 2.35 Angstrom resolution
分子名称: ACYLATED CEFTAZIDIME, LRA-5
著者Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
登録日2022-10-02
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
8EHH
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BU of 8ehh by Molmil
Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S.
登録日2022-09-14
公開日2023-09-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Biochemical and structural evidences of the activity of relebactam as inhibitor of the extended-spectrum beta-lactamase CTX-M-96.
To be published
8EO5
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Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRA-5
著者Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
登録日2022-10-02
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
6ODD
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BU of 6odd by Molmil
Crystal structure of the human complex ACP-ISD11
分子名称: Acyl carrier protein, mitochondrial, CALCIUM ION, ...
著者Herrera, M.G, Noguera, M.E, Klinke, S, Santos, J.
登録日2019-03-26
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Human ACP-ISD11 Heterodimer.
Biochemistry, 58, 2019
6OVP
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BU of 6ovp by Molmil
Sterol Carrier Protein 2 from Yarrowia Lipolytica (apo form)
分子名称: Fatty acid-binding protein, PHOSPHATE ION
著者Gianotti, A.R, Klinke, S, Ermacora, M.R.
登録日2019-05-08
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献The structure of unliganded sterol carrier protein 2 from Yarrowia lipolytica unveils a mechanism for binding site occlusion.
J.Struct.Biol., 213, 2020
8DQT
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BU of 8dqt by Molmil
Human PDK1 kinase domain in complex with Valsartan
分子名称: (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL
著者Gross, L.Z.F, Klinke, S, Biondi, R.M.
登録日2022-07-19
公開日2023-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein.
Sci.Signal., 16, 2023
5ANP
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BU of 5anp by Molmil
CRYSTAL STRUCTURE OF THE BA41 PROTEIN FROM BIZIONIA ARGENTINENSIS
分子名称: BA41
著者Otero, L.H, Cerutti, M.L, Goldbaum, F.A, Klinke, S.
登録日2015-09-07
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and functional characterization of a cold adapted TPM-domain with ATPase/ADPase activity.
J. Struct. Biol., 197, 2017
8EK9
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BU of 8ek9 by Molmil
Crystal structure of the class A carbapenemase CRH-1 in complex with avibactam at 1.4 Angstrom resolution
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S.
登録日2022-09-20
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
8EHU
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BU of 8ehu by Molmil
Crystal structure of the environmental CRH-1 class A carbapenemase at 1.1 Angstrom resolution
分子名称: Beta-lactamase
著者Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S.
登録日2022-09-14
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
4FXU
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BU of 4fxu by Molmil
Crystallographic structure of trimeric riboflavin synthase from Brucella abortus
分子名称: Riboflavin synthase subunit alpha
著者Serer, M.I, Bonomi, H.R, Guimaraes, B.G, Rossi, R.C, Goldbaum, F.A, Klinke, S.
登録日2012-07-03
公開日2014-03-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and kinetic study of riboflavin synthase from Brucella abortus, a chemotherapeutic target with an enhanced intrinsic flexibility.
Acta Crystallogr.,Sect.D, 70, 2014
4G6I
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BU of 4g6i by Molmil
Crystallographic structure of trimeric riboflavin synthase from Brucella abortus in complex with roseoflavin
分子名称: 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol, Riboflavin synthase subunit alpha
著者Serer, M.I, Bonomi, H.R, Guimaraes, B.G, Rossi, R.C, Goldbaum, F.A, Klinke, S.
登録日2012-07-19
公開日2014-03-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystallographic and kinetic study of riboflavin synthase from Brucella abortus, a chemotherapeutic target with an enhanced intrinsic flexibility.
Acta Crystallogr.,Sect.D, 70, 2014
4GQN
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BU of 4gqn by Molmil
Crystallographic structure of trimeric Riboflavin Synthase from Brucella abortus in complex with 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione
分子名称: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, Riboflavin synthase subunit alpha
著者Serer, M.I, Bonomi, H.R, Guimaraes, B.G, Rossi, R.C, Goldbaum, F.A, Klinke, S.
登録日2012-08-23
公開日2014-03-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic and kinetic study of riboflavin synthase from Brucella abortus, a chemotherapeutic target with an enhanced intrinsic flexibility.
Acta Crystallogr.,Sect.D, 70, 2014
7KVD
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BU of 7kvd by Molmil
Cryo-EM structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (dodecamer)
分子名称: p9-1
著者Llauger, G, Melero, R, Monti, D, Sycz, G, Huck-Iriart, C, Cerutti, M.L, Klinke, S, Arranz, R, Carazo, J.M, Goldbaum, F.A, del Vas, M, Otero, L.H.
登録日2020-11-27
公開日2022-06-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献A Fijivirus Major Viroplasm Protein Shows RNA-Stimulated ATPase Activity by Adopting Pentameric and Hexameric Assemblies of Dimers.
Mbio, 14, 2023
7KVC
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Cryo-EM structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (decamer)
分子名称: p9-1
著者Llauger, G, Melero, R, Monti, D, Sycz, G, Huck-Iriart, C, Cerutti, M.L, Klinke, S, Arranz, R, Carazo, J.M, Goldbaum, F.A, del Vas, M, Otero, L.H.
登録日2020-11-27
公開日2022-06-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献A Fijivirus Major Viroplasm Protein Shows RNA-Stimulated ATPase Activity by Adopting Pentameric and Hexameric Assemblies of Dimers.
Mbio, 14, 2023
6V95
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BU of 6v95 by Molmil
Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-tartaramidoyl derivative (diNGT)
分子名称: (2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name), CALCIUM ION, Galactose-binding lectin, ...
著者Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
登録日2019-12-13
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
6VGF
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Peanut lectin complexed with divalent S-beta-D-thiogalactopyranosyl beta-D-glucopyranoside derivative (diSTGD)
分子名称: (2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, Galactose-binding lectin, ...
著者Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
登録日2020-01-08
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
6VAW
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BU of 6vaw by Molmil
Peanut lectin complexed with N-beta-D-galactopyranosyl-L-succinamoyl derivative (NGS)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
登録日2019-12-18
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
6VC4
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Peanut lectin complexed with S-beta-D-Thiogalactopyranosyl beta-D-glucopyranoside derivative (STGD)
分子名称: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name), CALCIUM ION, Galactose-binding lectin, ...
著者Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
登録日2019-12-20
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
6VC3
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Peanut lectin complexed with S-beta-D-thiogalactopyranosyl 6-deoxy-6-S-propynyl-beta-D-glucopyranoside (STG)
分子名称: 6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside, CALCIUM ION, Galactose-binding lectin, ...
著者Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
登録日2019-12-20
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020

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