5FWC
| Human Spectrin SH3 domain D48G, E7A, K60A | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, SPECTRIN ALPHA CHAIN, ... | Authors: | Gallego, P, Navarro, S, Ventura, S, Reverter, D. | Deposit date: | 2016-02-12 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Human Spectrin SH3 Domain D48G, E7A, K60A To be Published
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4E4J
| 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
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4D7B
| Structure of human transthyretin in complex with Tolcapone | Descriptor: | TRANSTHYRETIN, Tolcapone | Authors: | Gallego, P, Sant'anna, R.O, Ventura, S, Reverter, D. | Deposit date: | 2014-11-21 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Repositioning Tolcapone as a Potent Inhibitor of Transthyretin Amyloidogenesis and its Associated Cellular Toxicity Nat.Commun., 7, 2016
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2QY0
| Active dimeric structure of the catalytic domain of C1r reveals enzyme-product like contacts | Descriptor: | Complement C1r subcomponent, GLYCEROL | Authors: | Kardos, J, Harmat, V, Pallo, A, Barabas, O, Szilagyi, K, Graf, L, Naray-Szabo, G, Goto, Y, Zavodszky, P, Gal, P. | Deposit date: | 2007-08-13 | Release date: | 2008-02-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Revisiting the mechanism of the autoactivation of the complement protease C1r in the C1 complex: Structure of the active catalytic region of C1r. Mol.Immunol., 45, 2008
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2OAY
| Crystal structure of latent human C1-inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Plasma protease C1 inhibitor | Authors: | Harmat, V, Beinrohr, L, Gal, P, Dobo, J. | Deposit date: | 2006-12-18 | Release date: | 2007-05-01 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | C1 inhibitor serpin domain structure reveals the likely mechanism of heparin potentiation and conformational disease J.Biol.Chem., 282, 2007
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3GOV
| Crystal structure of the catalytic region of human MASP-1 | Descriptor: | GLYCEROL, MASP-1 | Authors: | Harmat, V, Dobo, J, Beinrohr, L, Sebestyen, E, Zavodszky, P, Gal, P. | Deposit date: | 2009-03-20 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | MASP-1, a promiscuous complement protease: structure of its catalytic region reveals the basis of its broad specificity. J.Immunol., 183, 2009
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1Q3X
| Crystal structure of the catalytic region of human MASP-2 | Descriptor: | GLYCEROL, Mannan-binding lectin serine protease 2, SODIUM ION | Authors: | Harmat, V, Gal, P, Kardos, J, Szilagyi, K, Ambrus, G, Naray-Szabo, G, Zavodszky, P. | Deposit date: | 2003-08-01 | Release date: | 2004-08-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The structure of MBL-associated serine protease-2 reveals that identical substrate specificities of C1s and MASP-2 are realized through different sets of enzyme-substrate interactions J.Mol.Biol., 342, 2004
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7ZAO
| Structure of BPP43_05035 of Brachyspira pilosicoli | Descriptor: | MAGNESIUM ION, Sialidase (Neuraminidase) family protein-like protein | Authors: | Rajan, A, Gallego, P, Pelaseyed, T. | Deposit date: | 2022-03-22 | Release date: | 2023-10-11 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | BPP43_05035 is a Brachyspira pilosicoli cell surface adhesin that weakens the integrity of the epithelial barrier during infection Biorxiv, 2024
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3TVJ
| Catalytic fragment of MASP-2 in complex with its specific inhibitor developed by directed evolution on SGCI scaffold | Descriptor: | Mannan-binding lectin serine protease 2 A chain, Mannan-binding lectin serine protease 2 B chain, Protease inhibitor SGPI-2, ... | Authors: | Heja, D, Harmat, V, Dobo, J, Szasz, R, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G. | Deposit date: | 2011-09-20 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2. J.Biol.Chem., 287, 2012
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4DJZ
| Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold | Descriptor: | Mannan-binding lectin serine protease 1 heavy chain, Mannan-binding lectin serine protease 1 light chain, Protease inhibitor SGPI-2 | Authors: | Heja, D, Harmat, V, Fodor, K, Wilmanns, M, Dobo, J, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G. | Deposit date: | 2012-02-03 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2. J.Biol.Chem., 287, 2012
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8ACS
| Crystal structure of FMO from Janthinobacterium svalbardensis | Descriptor: | DI(HYDROXYETHYL)ETHER, FAD-dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Polidori, N, Galuska, P, Gruber, K. | Deposit date: | 2022-07-06 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Cold-Active Flavin-Dependent Monooxygenase from Janthinobacterium svalbardensis Unlocks Applications of Baeyer-Villiger Monooxygenases at Low Temperature. Acs Catalysis, 13, 2023
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2BEQ
| Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein | Descriptor: | Spike glycoprotein | Authors: | Supekar, V.M, Bruckmann, C, Ingallinella, P, Bianchi, E, Pessi, A, Carfi, A. | Deposit date: | 2004-11-29 | Release date: | 2004-12-22 | Last modified: | 2020-04-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein Proc.Natl.Acad.Sci.USA, 101, 2004
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2BEZ
| Structure of a proteolitically resistant core from the severe acute respiratory syndrome coronavirus S2 fusion protein | Descriptor: | GLYCEROL, Spike glycoprotein | Authors: | Supekar, V.M, Bruckmann, C, Ingallinella, P, Bianchi, E, Pessi, A, Carfi, A. | Deposit date: | 2004-12-02 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein Proc.Natl.Acad.Sci.USA, 101, 2004
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2VQW
| Structure of inhibitor-free HDAC4 catalytic domain (with gain-of- function mutation His332Tyr) | Descriptor: | HISTONE DEACETYLASE 4, POTASSIUM ION, ZINC ION | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-19 | Release date: | 2008-08-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQM
| Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQO
| Structure of HDAC4 catalytic domain with a gain-of-function muation bound to a trifluoromethylketone inhbitor | Descriptor: | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-18 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQQ
| Structure of HDAC4 catalytic domain (a double cysteine-to-alanine mutant) bound to a trifluoromethylketone inhbitor | Descriptor: | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-18 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQV
| Structure of HDAC4 catalytic domain with a gain-of-function mutation bound to a hydroxamic acid inhibitor | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-19 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQJ
| Structure of HDAC4 catalytic domain bound to a trifluoromethylketone inhbitor | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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5FO2
| 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
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5A6I
| V122I Transthyretin structure in complex with Tolcalpone | Descriptor: | TRANSTHYRETIN, Tolcapone | Authors: | Reverter, D, Gallego, P, Santana, R, Ventura, S. | Deposit date: | 2015-06-26 | Release date: | 2016-02-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Repositioning Tolcapone as a Potent Inhibitor of Transthyretin Amyloidogenesis and its Associated Cellular Toxicity Nat.Commun., 7, 2016
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2V5X
| Crystal structure of HDAC8-inhibitor complex | Descriptor: | (2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE, HISTONE DEACETYLASE 8, POTASSIUM ION, ... | Authors: | Di Marco, S, Vannini, A, Volpari, C, Gallinari, P, Jones, P, Mattu, M, Carfi, A, Defrancesco, R, Steinkuhler, C. | Deposit date: | 2007-07-10 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex Embo Rep., 8, 2007
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4J2T
| Inhibitor-bound Ca2+ ATPase | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate, PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, ... | Authors: | Paulsen, E.S, Villadsen, J, Tenori, E, Liu, H, Lie, M.A, Bonde, D.F, Bublitz, M, Olesen, C, Autzen, H.E, Dach, I, Sehgal, P, Moller, J.V, Schiott, B, Nissen, P, Christensen, S.B. | Deposit date: | 2013-02-05 | Release date: | 2013-06-19 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase. J.Med.Chem., 56, 2013
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1MZI
| Solution ensemble structures of HIV-1 gp41 2F5 mAb epitope | Descriptor: | 2F5 epitope of HIV-1 gp41 fusion protein | Authors: | Barbato, G, Bianchi, E, Ingallinella, P, Hurni, W.H, Miller, M.D, Ciliberto, G, Cortese, R, Bazzo, R, Shiver, J.W, Pessi, A. | Deposit date: | 2002-10-08 | Release date: | 2003-09-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural analysis of the epitope of the anti-HIV antibody 2F5 sheds light into its mechanism of neutralization and HIV fusion. J.Mol.Biol., 330, 2003
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2INX
| Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol | Descriptor: | 2,6-DIFLUOROPHENOL, Steroid delta-isomerase | Authors: | Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D. | Deposit date: | 2006-10-09 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole. J.Am.Chem.Soc., 130, 2008
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