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8BQ3
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BU of 8bq3 by Molmil
Crystal structure of human R13 mutant of the c-Src SH3 domain in complex with VSL12-peptide
Descriptor: PRO-LEU-PRO, Proto-oncogene tyrosine-protein kinase Src
Authors:Varejao, N, Navarro, S, Ventura, S, Reverter, D.
Deposit date:2022-11-18
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structure of human R13 mutant of the c-Src SH3 domain in complex with VSL12-peptide
To Be Published
1AYE
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BU of 1aye by Molmil
HUMAN PROCARBOXYPEPTIDASE A2
Descriptor: PROCARBOXYPEPTIDASE A2, ZINC ION
Authors:Garcia-Saez, I, Reverte, D, Vendrell, J, Aviles, F.X, Coll, M.
Deposit date:1997-11-03
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of human procarboxypeptidase A2. Deciphering the basis of the inhibition, activation and intrinsic activity of the zymogen.
EMBO J., 16, 1997
7VIM
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BU of 7vim by Molmil
The C-terminal DNA binding domain of EsrB from Edwardsiella piscicida
Descriptor: Protein EsrB
Authors:Liu, B, Reverter, D, Shao, S.
Deposit date:2021-09-27
Release date:2022-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The C-terminal DNA binding domain of EsrB from Edwardsiella piscicida
To Be Published
4BWR
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BU of 4bwr by Molmil
Crystal structure of c5321: a protective antigen present in uropathogenic Escherichia coli strains displaying an SLR fold
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Urosev, D, Ferrer-Navarro, M, Pastorello, I, Cartocci, E, Costenaro, L, Zhulenkovs, D, Marechal, J.-D, Leonchiks, A, Reverter, D, Serino, L, Soriani, M, Daura, X.
Deposit date:2013-07-04
Release date:2013-07-24
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying an Slr Fold.
Bmc Struct.Biol., 13, 2013
8PM8
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BU of 8pm8 by Molmil
V30M Transthyretin structure in complex with Tolcalpone
Descriptor: Tolcapone, Transthyretin
Authors:Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
Deposit date:2023-06-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.
Eur.J.Med.Chem., 261, 2023
8PMA
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BU of 8pma by Molmil
Crystal structure of human V30M transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)
Descriptor: (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
Authors:Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
Deposit date:2023-06-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.
Eur.J.Med.Chem., 261, 2023
8PM9
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BU of 8pm9 by Molmil
Crystal structure of human wild type transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)
Descriptor: (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
Authors:Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
Deposit date:2023-06-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.
Eur.J.Med.Chem., 261, 2023
8PMO
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BU of 8pmo by Molmil
Crystal structure of human V122I transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)
Descriptor: (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
Authors:Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
Deposit date:2023-06-29
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.
Eur.J.Med.Chem., 261, 2023
5OM9
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BU of 5om9 by Molmil
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor
Descriptor: (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid, Carboxypeptidase A1, ZINC ION
Authors:Gallego, P, Granados, C, Fernandez, D, Pallares, I, Covaleda, G, Aviles, F.X, Vendrell, J, Reverter, D.
Deposit date:2017-07-28
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library.
ACS Med Chem Lett, 8, 2017
5AEK
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BU of 5aek by Molmil
Crystal structure of the human SENP2 C548S in complex with the human SUMO1 K48M F66W
Descriptor: SENTRIN-SPECIFIC PROTEASE 2, SMALL UBIQUITIN-RELATED MODIFIER 1
Authors:Gallego, P, Grana-Montes, R, Espargaro, A, Castillo, V, Torrent, J, Lange, R, Papaleo, E, Lindorff-Larsend, K, Ventura, S, Reverter, D.
Deposit date:2014-12-23
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Stepping Back and Forward on Sumo Folding Evolution
To be Published
5AQ0
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BU of 5aq0 by Molmil
The structure of the Transthyretin-like domain of the first catalytic domain of the HUMAN Carboxypeptidase D
Descriptor: CARBOXYPEPTIDASE D, GLYCEROL
Authors:Gallego, P, Garcia-Pardo, J, Lorenzo, J, Aviles, F.X, Ventura, S, Reverter, D.
Deposit date:2015-09-18
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The Structure of the Ttldomain of the Human Carboxypeptidase D
To be Published
5LCN
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BU of 5lcn by Molmil
STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE GROUP P212121
Descriptor: PENTAETHYLENE GLYCOL, Uncharacterized protein
Authors:Varejao, N, Reverter, D.
Deposit date:2016-06-22
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
6FWW
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BU of 6fww by Molmil
GFP/KKK. A redesigned GFP with improved solubility
Descriptor: Green fluorescent protein
Authors:Varejao, N, Lascorz, J, Gil-Garcia, M, Diaz-Caballero, M, Navarro, S, Ventura, S, Reverter, D.
Deposit date:2018-03-07
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.131 Å)
Cite:Combining Structural Aggregation Propensity and Stability Predictions To Redesign Protein Solubility.
Mol. Pharm., 15, 2018
6FXU
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BU of 6fxu by Molmil
Crystal structure of human transthyretin mutant T119M at pH 5.5
Descriptor: Transthyretin
Authors:Varejao, N, Esperante, S, Ventura, S, Reverter, D.
Deposit date:2018-03-09
Release date:2019-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.359 Å)
Cite:Disease-associated mutations impacting BC-loop flexibility trigger long-range transthyretin tetramer destabilization and aggregation.
J.Biol.Chem., 297, 2021
6FZL
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BU of 6fzl by Molmil
Crystal structure of human transthyretin double mutant K35T/T119M
Descriptor: Transthyretin
Authors:Esperante, S, Ventura, S, Reverter, D, Varejao, N.
Deposit date:2018-03-15
Release date:2019-03-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.446 Å)
Cite:Disease-associated mutations impacting BC-loop flexibility trigger long-range transthyretin tetramer destabilization and aggregation.
J.Biol.Chem., 297, 2021
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
Descriptor: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
Descriptor: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
5MRV
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BU of 5mrv by Molmil
Crystal structure of human carboxypeptidase O in complex with NvCI
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase O, Metallocarboxypeptidase inhibitor, ...
Authors:Garcia-Pardo, J, Garcia-Guerrero, M.C, Fernandez-Alvarez, R, Lyons, P, Aviles, F.X, Lorenzo, J, Reverter, D.
Deposit date:2016-12-27
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Crystal structure and mechanism of human carboxypeptidase O: Insights into its specific activity for acidic residues.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4E4J
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BU of 4e4j by Molmil
Crystal structure of arginine deiminase from Mycoplasma penetrans
Descriptor: Arginine deiminase, CHLORIDE ION
Authors:Benach, J, Gallego, P, Planell, R, Querol, E, Perez Pons, J.A, Reverter, D.
Deposit date:2012-03-13
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma penetrans.
Plos One, 7, 2012
3EAY
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BU of 3eay by Molmil
Crystal structure of the human SENP7 catalytic domain
Descriptor: SULFATE ION, Sentrin-specific protease 7
Authors:Lima, C.D, Reverter, D.
Deposit date:2008-08-26
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Human SENP7 Catalytic Domain and Poly-SUMO Deconjugation Activities for SENP6 and SENP7.
J.Biol.Chem., 283, 2008
1JQG
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BU of 1jqg by Molmil
Crystal Structure of the Carboxypeptidase A from Helicoverpa Armigera
Descriptor: ZINC ION, carboxypeptidase A
Authors:Estebanez-Perpina, E, Bayes, A, Vendrell, J, Jongsma, M.A, Bown, D.P, Gatehouse, J.A, Huber, R, Bode, W, Aviles, F.X, Reverter, D.
Deposit date:2001-08-07
Release date:2002-08-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a novel mid-gut procarboxypeptidase from the cotton pest Helicoverpa armigera.
J.Mol.Biol., 313, 2001
5FW6
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BU of 5fw6 by Molmil
Structure of human transthyretin mutant A108V
Descriptor: TRANSTHYRETIN
Authors:Gallego, P, Varejao, N, Santanna, R, Saraiva, M.J, Ventura, S, Reverter, D.
Deposit date:2016-02-12
Release date:2017-03-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
5FO2
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BU of 5fo2 by Molmil
Structure of human transthyretin mutant A108I
Descriptor: TRANSTHYRETIN
Authors:Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D.
Deposit date:2015-11-17
Release date:2016-11-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
5G5C
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BU of 5g5c by Molmil
Structure of the Pyrococcus furiosus Esterase Pf2001 with space group C2221
Descriptor: ESTERASE
Authors:Varejao, N, Reverter, D.
Deposit date:2016-05-23
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
5G59
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BU of 5g59 by Molmil
Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P3121
Descriptor: ESTERASE, MERCURY (II) ION
Authors:Varejao, N, Reverter, D.
Deposit date:2016-05-23
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018

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