188L
 
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186L
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182L
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2DCX
 | | NMR solution structure of the Dermaseptin antimicrobial peptide analog NC12-K4S4(1-13)a | | Descriptor: | 12-AMINO-DODECANOIC ACID, Dermaseptin-4 | | Authors: | Shalev, D.E, Rotem, S, Fish, A, Mor, A. | | Deposit date: | 2006-01-17 | | Release date: | 2006-02-28 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13)
J.Biol.Chem., 281, 2006
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2DD6
 | | Solution structure of Dermaseptin antimicrobial peptide truncated, mutated analog, K4-S4(1-13)a | | Descriptor: | Dermaseptin-4 | | Authors: | Shalev, D.E, Rotem, S, Fish, A, Mor, A. | | Deposit date: | 2006-01-19 | | Release date: | 2006-02-28 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13)
J.Biol.Chem., 281, 2006
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4B8R
 | | Crystal Structure of Thermococcus litoralis ADP-dependent Glucokinase (GK) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADP-DEPENDENT GLUCOKINASE, ... | | Authors: | Herrera-Morande, A, Rivas-Pardo, J.A, Fernandez, F.J, Guixe, V, Vega, M.C. | | Deposit date: | 2012-08-30 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure, Saxs and Kinetic Mechanism of Hyperthermophilic Adp-Dependent Glucokinase from Thermococcus Litoralis Reveal a Conserved Mechanism for Catalysis.
Plos One, 8, 2013
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2BMM
 | | X-ray structure of a novel thermostable hemoglobin from the actinobacterium Thermobifida fusca | | Descriptor: | ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, THERMOSTABLE HEMOGLOBIN FROM THERMOBIFIDA FUSCA | | Authors: | Ilari, A, Franceschini, S, Bonamore, A, Boffi, A. | | Deposit date: | 2005-03-15 | | Release date: | 2005-07-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | A Novel Thermostable Hemoglobin from the Actinobacterium Thermobifida Fusca.
FEBS J., 272, 2005
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4UZV
 | | Structure of a triple mutant of ASV-TfTrHb | | Descriptor: | ACETATE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Baiocco, P, Bonamore, A, Sciamanna, N, Ilari, A, Boechi, L, Boffi, A, Smulevich, G, Feis, A. | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy.
J.Phys.Chem.B, 118, 2014
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2BM2
 | | human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone | | Descriptor: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE | | Authors: | Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H. | | Deposit date: | 2005-03-09 | | Release date: | 2005-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase
Bioorg.Med.Chem., 13, 2005
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7ANK
 | | Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with half dimer of alpha-actinin-2 | | Descriptor: | Alpha-actinin-2, Myozenin-1 | | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | Deposit date: | 2020-10-12 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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4KL1
 | | HCN4 CNBD in complex with cGMP | | Descriptor: | ACETATE ION, CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Lolicato, M, Arrigoni, C, Zucca, S, Nardini, M, Bucchi, A, Schroeder, I, Simmons, K, Bolognesi, M, DiFrancesco, D, Schwede, F, Fishwick, C.W.G, Johnson, A.P.K, Thiel, G, Moroni, A. | | Deposit date: | 2013-05-07 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cyclic dinucleotides bind the C-linker of HCN4 to control channel cAMP responsiveness.
Nat.Chem.Biol., 10, 2014
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4UXM
 | | Crystal Structure of Struthiocalcin-1, a different crystal form. | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, STRUTHIOCALCIN-1 | | Authors: | Ruiz-Arellano, R.R, Moreno, A, Romero, A. | | Deposit date: | 2014-08-26 | | Release date: | 2015-04-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms.
Acta Crystallogr.,Sect.D, 71, 2015
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4UWW
 | | Crystallographic Structure of the Intramineral Protein Struthicalcin from Struthio camelus Eggshell | | Descriptor: | STRUTHIOCALCIN-1 | | Authors: | Ruiz, R.R, Moreno, A, Romero, A. | | Deposit date: | 2014-08-14 | | Release date: | 2015-04-08 | | Last modified: | 2015-04-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms.
Acta Crystallogr.,Sect.D, 71, 2015
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7P35
 | | Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir | | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Fabrega-Ferrer, M, Perez-Saavedra, J, Herrera-Morande, A, Coll, M. | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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4AXP
 | | NMR structure of Hsp12, a protein induced by and required for dietary restriction-induced lifespan extension in yeast. | | Descriptor: | 12 KDA HEAT SHOCK PROTEIN | | Authors: | Herbert, A.P, Riesen, M, Bloxam, L, Kosmidou, E, Wareing, B.M, Johnson, J.R, Phelan, M.M, Pennington, S.R, Lian, L.Y, Morgan, A. | | Deposit date: | 2012-06-13 | | Release date: | 2012-08-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of Hsp12, a Protein Induced by and Required for Dietary Restriction-Induced Lifespan Extension in Yeast.
Plos One, 7, 2012
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1IVV
 | | Crystal structure of copper amine oxidase from Arthrobacter globiformis: Early intermediate in topaquinone biogenesis | | Descriptor: | COPPER (II) ION, amine oxidase | | Authors: | Kim, M, Okajima, T, Kishishita, S, Yoshimura, M, Kawamori, A, Tanizawa, K, Yamaguchi, H. | | Deposit date: | 2002-03-29 | | Release date: | 2002-08-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray snapshots of quinone cofactor biogenesis in bacterial copper amine oxidase.
Nat.Struct.Biol., 9, 2002
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1IVU
 | | Crystal structure of copper amine oxidase from Arthrobacter globiformis: Initial intermediate in topaquinone biogenesis | | Descriptor: | COPPER (II) ION, amine oxidase | | Authors: | Kim, M, Okajima, T, Kishishita, S, Yoshimura, M, Kawamori, A, Tanizawa, K, Yamaguchi, H. | | Deposit date: | 2002-03-29 | | Release date: | 2002-08-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray snapshots of quinone cofactor biogenesis in bacterial copper amine oxidase.
Nat.Struct.Biol., 9, 2002
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7Q1L
 | | Glycosilated Human Serum Apo-tranferrin | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D. | | Deposit date: | 2021-10-20 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin.
Int J Mol Sci, 22, 2021
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5K27
 | | Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family. | | Descriptor: | ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT | | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | | Deposit date: | 2016-05-18 | | Release date: | 2017-05-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
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5KKG
 | | Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... | | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | | Deposit date: | 2016-06-21 | | Release date: | 2017-07-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.608 Å) | | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
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7ZQV
 | | Structure of the SARS-CoV-2 main protease in complex with AG7404 | | Descriptor: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Authors: | Fabrega-Ferrer, M, Herrera-Morande, A, Perez-Saavedra, J, Coll, M. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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7ZQW
 | | Structure of the SARS-CoV-1 main protease in complex with AG7404 | | Descriptor: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Authors: | Muriel-Goni, S, Fabrega-Ferrer, M, Herrera-Morande, A, Coll, M. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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3W6G
 | | Structure of peroxiredoxin from anaerobic hyperthermophilic archaeon Pyrococcus horikoshii | | Descriptor: | CITRATE ANION, Probable peroxiredoxin | | Authors: | Nakamura, T, Mori, A, Niiyama, M, Matsumura, H, Tokuyama, C, Morita, J, Uegaki, K, Inoue, T. | | Deposit date: | 2013-02-14 | | Release date: | 2013-07-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of peroxiredoxin from the anaerobic hyperthermophilic archaeon Pyrococcus horikoshii
Acta Crystallogr.,Sect.F, 69, 2013
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6XIO
 | | ADP-dependent kinase complex with fructose-6-phosphate and ADPbetaS | | Descriptor: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, 6-O-phosphono-beta-D-fructofuranose, ADP-dependent phosphofructokinase, ... | | Authors: | Munoz, S, Gonzalez-Ordenes, F, Fuentes, N, Maturana, P, Herrera-Morande, A, Villalobos, P, Castro-Fernandez, V. | | Deposit date: | 2020-06-20 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structure of an ancestral ADP-dependent kinase with fructose-6P reveals key residues for binding, catalysis, and ligand-induced conformational changes.
J.Biol.Chem., 296, 2020
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6XAT
 | | Crystal structure of the human FoxP4 DNA binding Domain | | Descriptor: | FOXP4 protein, SODIUM ION | | Authors: | VIllalobos, P, Castro-Fernandez, V, Medina, E, Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Ramirez-Sarmiento, C.A, Babul, J. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unraveling the folding and dimerization properties of the human FoxP subfamily of transcription factors.
Febs Lett., 597, 2023
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