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7ZQ7
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BU of 7zq7 by Molmil
Structure of RpF-1
分子名称: Crotonase/enoyl-CoA hydratase family protein
著者Sanchez-Alba, L, Reverter, D, Conchillo, O, Yero, D, Daura, X, Gibert, I.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of RpF-1
To Be Published
4UEZ
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BU of 4uez by Molmil
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH
分子名称: (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid, HUMAN CARBOXYPEPTIDASE A1, ZINC ION
著者Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D.
登録日2014-12-22
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
To be Published
4UEE
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BU of 4uee by Molmil
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Ala-Y(PO2CH2)-homoPhe-OH
分子名称: (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid, CARBOXYPEPTIDASE A1, ZINC ION
著者Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D.
登録日2014-12-17
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
To be Published
5LCN
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BU of 5lcn by Molmil
STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE GROUP P212121
分子名称: PENTAETHYLENE GLYCOL, Uncharacterized protein
著者Varejao, N, Reverter, D.
登録日2016-06-22
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
5FW6
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BU of 5fw6 by Molmil
Structure of human transthyretin mutant A108V
分子名称: TRANSTHYRETIN
著者Gallego, P, Varejao, N, Santanna, R, Saraiva, M.J, Ventura, S, Reverter, D.
登録日2016-02-12
公開日2017-03-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
7VIM
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BU of 7vim by Molmil
The C-terminal DNA binding domain of EsrB from Edwardsiella piscicida
分子名称: Protein EsrB
著者Liu, B, Reverter, D, Shao, S.
登録日2021-09-27
公開日2022-09-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The C-terminal DNA binding domain of EsrB from Edwardsiella piscicida
To Be Published
7QC5
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BU of 7qc5 by Molmil
Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound
分子名称: (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone, Transthyretin
著者Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
登録日2021-11-22
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation.
J.Med.Chem., 65, 2022
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
分子名称: SENTRIN-SPECIFIC PROTEASE 2, SMALL UBIQUITIN-RELATED MODIFIER 1
著者Gallego, P, Grana-Montes, R, Espargaro, A, Castillo, V, Torrent, J, Lange, R, Papaleo, E, Lindorff-Larsend, K, Ventura, S, Reverter, D.
登録日2014-12-23
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
分子名称: CARBOXYPEPTIDASE D, GLYCEROL
著者Gallego, P, Garcia-Pardo, J, Lorenzo, J, Aviles, F.X, Ventura, S, Reverter, D.
登録日2015-09-18
公開日2016-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献The Structure of the Ttldomain of the Human Carboxypeptidase D
To be Published
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
分子名称: 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
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
分子名称: 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
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2021-04-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
1JQG
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BU of 1jqg by Molmil
Crystal Structure of the Carboxypeptidase A from Helicoverpa Armigera
分子名称: ZINC ION, carboxypeptidase A
著者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.
登録日2001-08-07
公開日2002-08-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a novel mid-gut procarboxypeptidase from the cotton pest Helicoverpa armigera.
J.Mol.Biol., 313, 2001
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
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者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.
登録日2013-07-04
公開日2013-07-24
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying an Slr Fold.
Bmc Struct.Biol., 13, 2013
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)
分子名称: (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
著者Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
登録日2023-06-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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)
分子名称: (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
著者Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
登録日2023-06-29
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.
Eur.J.Med.Chem., 261, 2023
8PM8
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BU of 8pm8 by Molmil
V30M Transthyretin structure in complex with Tolcalpone
分子名称: Tolcapone, Transthyretin
著者Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
登録日2023-06-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献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)
分子名称: (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
著者Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
登録日2023-06-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties.
Eur.J.Med.Chem., 261, 2023
7P47
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BU of 7p47 by Molmil
Structure of the E3 ligase Smc5/Nse2 in complex with Ubc9-SUMO thioester mimetic
分子名称: E3 SUMO-protein ligase MMS21, SUMO-conjugating enzyme UBC9, Structural maintenance of chromosomes protein 5, ...
著者Lascorz, J, Varejao, N, Reverter, D.
登録日2021-07-09
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.314 Å)
主引用文献Structural basis for the E3 ligase activity enhancement of yeast Nse2 by SUMO-interacting motifs.
Nat Commun, 12, 2021
1AYE
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BU of 1aye by Molmil
HUMAN PROCARBOXYPEPTIDASE A2
分子名称: PROCARBOXYPEPTIDASE A2, ZINC ION
著者Garcia-Saez, I, Reverte, D, Vendrell, J, Aviles, F.X, Coll, M.
登録日1997-11-03
公開日1999-01-13
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
5FO2
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BU of 5fo2 by Molmil
Structure of human transthyretin mutant A108I
分子名称: TRANSTHYRETIN
著者Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D.
登録日2015-11-17
公開日2016-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
5G5M
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BU of 5g5m by Molmil
Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P21
分子名称: ESTERASE, S-methyl hexanethioate
著者Varejao, N, Reverter, D.
登録日2016-05-26
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
5G5C
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BU of 5g5c by Molmil
Structure of the Pyrococcus furiosus Esterase Pf2001 with space group C2221
分子名称: ESTERASE
著者Varejao, N, Reverter, D.
登録日2016-05-23
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献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
分子名称: ESTERASE, MERCURY (II) ION
著者Varejao, N, Reverter, D.
登録日2016-05-23
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
6TXW
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BU of 6txw by Molmil
V30G Transthyretin structure in complex with Tolcalpone
分子名称: Tolcapone, Transthyretin
著者Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S.
登録日2020-01-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.153 Å)
主引用文献Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
6TXV
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A25T Transthyretin structure in complex with Tolcalpone
分子名称: Tolcapone, Transthyretin
著者Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S.
登録日2020-01-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021

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