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: | 2024-11-13 | | 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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2CMR
 | | Crystal structure of the HIV-1 neutralizing antibody D5 Fab bound to the gp41 inner-core mimetic 5-helix | | Descriptor: | D5, GLYCEROL, TRANSMEMBRANE GLYCOPROTEIN | | Authors: | Luftig, M.A, Mattu, M, Di Giovine, P, Geleziunas, R, Hrin, R, Barbato, G, Bianchi, E, Miller, M.D, Pessi, A, Carfi, A. | | Deposit date: | 2006-05-11 | | Release date: | 2006-10-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for HIV-1 Neutralization by a Gp41 Fusion Intermediate-Directed Antibody
Nat.Struct.Mol.Biol., 13, 2006
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6SP1
 | | KEAP1 IN COMPLEX WITH COMPOUND 6 | | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-06-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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6SP4
 | | KEAP1 IN COMPLEX WITH COMPOUND 23 | | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-06-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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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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5B5K
 | | Crystal structure of Izumo1, the mammalian sperm ligand for egg Juno | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Izumo sperm-egg fusion protein 1 | | Authors: | Nishimura, K, Han, L, De Sanctis, D, Jovine, L. | | Deposit date: | 2016-05-11 | | Release date: | 2016-07-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of sperm Izumo1 reveals unexpected similarities with Plasmodium invasion proteins.
Curr.Biol., 26, 2016
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5EJN
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8R2O
 | | Huntingtin-Q17, 1-66, N-MBP fusion | | Descriptor: | Maltodextrin-binding protein,Huntingtin, myristoylated N-terminal fragment, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Toledo-Sherman, L, Dominguez, C. | | Deposit date: | 2023-11-07 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Post-translational modifications in the first 17 amino acids of huntingtin influence self-association and interaction with membranes
To Be Published
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8R3E
 | | Huntingtin, 1-17, MBP-N | | Descriptor: | Maltodextrin-binding protein, ZINC ION | | Authors: | Steinbacher, S, Toledo-Sherman, L, Dominguez, C. | | Deposit date: | 2023-11-08 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Post-translational modifications in the first 17 amino acids of huntingtin influence self-association and interaction with membranes
To Be Published
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6QXB
 | | NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli | | Descriptor: | PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-29 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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6QXC
 | | NMR structure of peptide 8, characterized by a trans-4-cyclohexyl-Pro, with a dramatic reduction in activity on E. coli ATCC and lost effect on P. aeruginosa. | | Descriptor: | PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-29 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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6XIF
 | | PCSK9(deltaCRD) in complex with cyclic peptide 83 | | Descriptor: | GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.774 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XID
 | | PCSK9(deltaCRD) in complex with cyclic peptide 51 | | Descriptor: | GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XIE
 | | PCSK9(deltaCRD) in complex with cyclic peptide 77 | | Descriptor: | GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XIB
 | | PCSK9(deltaCRD) in complex with cyclic peptide 30 | | Descriptor: | GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.546 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XIC
 | | PCSK9(deltaCRD) in complex with cyclic peptide 40 | | Descriptor: | GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.377 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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7S5H
 | | PCSK9(deltaCRD) in complex with cyclic peptide 35 | | Descriptor: | (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Orth, P. | | Deposit date: | 2021-09-10 | | Release date: | 2021-11-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.272 Å) | | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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7S5G
 | | PCSK9 in complex with compound 19 | | Descriptor: | (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Orth, P. | | Deposit date: | 2021-09-10 | | Release date: | 2021-11-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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2XRA
 | | crystal structure of the HK20 Fab in complex with a gp41 mimetic 5- Helix | | Descriptor: | HK20, HUMAN MONOCLONAL ANTIBODY HEAVY CHAIN, HUMAN MONOCLONAL ANTIBODY LIGHT CHAIN, ... | | Authors: | Sabin, C, Corti, D, Buzon, V, Seaman, M.S, Lutje Hulsik, D, Hinz, A, Vanzetta, F, Agatic, G, Silacci, C, Langedijk, J.P.M, Mainetti, L, Scarlatti, G, Sallusto, F, Weiss, R, Lanzavecchia, A, Weissenhorn, W. | | Deposit date: | 2010-09-13 | | Release date: | 2010-12-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure and size-dependent neutralization properties of HK20, a human monoclonal antibody binding to the highly conserved heptad repeat 1 of gp41.
PLoS Pathog., 6, 2010
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6T7Z
 | | KEAP1 IN COMPLEX WITH COMPOUND 44 | | Descriptor: | ACE-CYS-ASA-4FB-GLU-THR-GLY-GLU-CYS-NH2, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Colarusso, S. | | Deposit date: | 2019-10-23 | | Release date: | 2020-09-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction.
Bioorg.Med.Chem., 28, 2020
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6T7V
 | | KEAP1 IN COMPLEX WITH PEPTIDE 8 | | Descriptor: | ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU | | Authors: | Colarusso, S. | | Deposit date: | 2019-10-23 | | Release date: | 2020-09-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction.
Bioorg.Med.Chem., 28, 2020
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1DXW
 | | structure of hetero complex of non structural protein (NS) of hepatitis C virus (HCV) and synthetic peptidic compound | | Descriptor: | N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, SERINE PROTEASE, ZINC ION | | Authors: | Barbato, G, Cicero, D.O, Cordier, F, Narjes, F, Gerlach, B, Sambucini, S, Grzesiek, S, Matassa, V.G, Defrancesco, R, Bazzo, R. | | Deposit date: | 2000-01-17 | | Release date: | 2001-01-12 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Inhibitor Binding Induces Active Site Stabilisation of the Hcv Ns3 Protein Serine Protease Domain
Embo J., 19, 2000
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