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2BEQ
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BU of 2beq by Molmil
Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein
分子名称: Spike glycoprotein
著者Supekar, V.M, Bruckmann, C, Ingallinella, P, Bianchi, E, Pessi, A, Carfi, A.
登録日2004-11-29
公開日2004-12-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein
Proc.Natl.Acad.Sci.USA, 101, 2004
2BEZ
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BU of 2bez by Molmil
Structure of a proteolitically resistant core from the severe acute respiratory syndrome coronavirus S2 fusion protein
分子名称: GLYCEROL, Spike glycoprotein
著者Supekar, V.M, Bruckmann, C, Ingallinella, P, Bianchi, E, Pessi, A, Carfi, A.
登録日2004-12-02
公開日2004-12-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein
Proc.Natl.Acad.Sci.USA, 101, 2004
2CMR
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BU of 2cmr by Molmil
Crystal structure of the HIV-1 neutralizing antibody D5 Fab bound to the gp41 inner-core mimetic 5-helix
分子名称: D5, GLYCEROL, TRANSMEMBRANE GLYCOPROTEIN
著者Luftig, M.A, Mattu, M, Di Giovine, P, Geleziunas, R, Hrin, R, Barbato, G, Bianchi, E, Miller, M.D, Pessi, A, Carfi, A.
登録日2006-05-11
公開日2006-10-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for HIV-1 Neutralization by a Gp41 Fusion Intermediate-Directed Antibody
Nat.Struct.Mol.Biol., 13, 2006
6SP1
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BU of 6sp1 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 6
分子名称: (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
著者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.
登録日2019-08-30
公開日2020-06-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6SP4
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BU of 6sp4 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 23
分子名称: (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
著者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.
登録日2019-08-30
公開日2020-06-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
1MZI
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BU of 1mzi by Molmil
Solution ensemble structures of HIV-1 gp41 2F5 mAb epitope
分子名称: 2F5 epitope of HIV-1 gp41 fusion protein
著者Barbato, G, Bianchi, E, Ingallinella, P, Hurni, W.H, Miller, M.D, Ciliberto, G, Cortese, R, Bazzo, R, Shiver, J.W, Pessi, A.
登録日2002-10-08
公開日2003-09-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献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
5B5K
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BU of 5b5k by Molmil
Crystal structure of Izumo1, the mammalian sperm ligand for egg Juno
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Izumo sperm-egg fusion protein 1
著者Nishimura, K, Han, L, De Sanctis, D, Jovine, L.
登録日2016-05-11
公開日2016-07-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of sperm Izumo1 reveals unexpected similarities with Plasmodium invasion proteins.
Curr.Biol., 26, 2016
5EJN
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BU of 5ejn by Molmil
Crystal structure of Juno, the mammalian egg receptor for sperm Izumo1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sperm-egg fusion protein Juno
著者Nishimura, K, Han, L, Jovine, L.
登録日2015-11-02
公開日2016-02-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Divergent evolution of vitamin B9 binding underlies Juno-mediated adhesion of mammalian gametes.
Curr.Biol., 26, 2016
8R2O
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BU of 8r2o by Molmil
Huntingtin-Q17, 1-66, N-MBP fusion
分子名称: Maltodextrin-binding protein,Huntingtin, myristoylated N-terminal fragment, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Toledo-Sherman, L, Dominguez, C.
登録日2023-11-07
公開日2024-09-18
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Post-translational modifications in the first 17 amino acids of huntingtin influence self-association and interaction with membranes
To Be Published
8R3E
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Huntingtin, 1-17, MBP-N
分子名称: Maltodextrin-binding protein, ZINC ION
著者Steinbacher, S, Toledo-Sherman, L, Dominguez, C.
登録日2023-11-08
公開日2024-09-18
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Post-translational modifications in the first 17 amino acids of huntingtin influence self-association and interaction with membranes
To Be Published
6QXB
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BU of 6qxb by Molmil
NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli
分子名称: PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2
著者Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E.
登録日2019-03-07
公開日2019-05-29
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
6QXC
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BU of 6qxc by Molmil
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.
分子名称: PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2
著者Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E.
登録日2019-03-07
公開日2019-05-29
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
6XIF
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BU of 6xif by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 83
分子名称: GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献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
6XID
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BU of 6xid by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 51
分子名称: GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献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
6XIE
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PCSK9(deltaCRD) in complex with cyclic peptide 77
分子名称: GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献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
6XIB
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BU of 6xib by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 30
分子名称: GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献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
6XIC
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BU of 6xic by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 40
分子名称: GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献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
7S5H
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BU of 7s5h by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 35
分子名称: (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ...
著者Orth, P.
登録日2021-09-10
公開日2021-11-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.272 Å)
主引用文献A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
7S5G
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BU of 7s5g by Molmil
PCSK9 in complex with compound 19
分子名称: (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ...
著者Orth, P.
登録日2021-09-10
公開日2021-11-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
2XRA
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BU of 2xra by Molmil
crystal structure of the HK20 Fab in complex with a gp41 mimetic 5- Helix
分子名称: HK20, HUMAN MONOCLONAL ANTIBODY HEAVY CHAIN, HUMAN MONOCLONAL ANTIBODY LIGHT CHAIN, ...
著者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.
登録日2010-09-13
公開日2010-12-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
6T7Z
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BU of 6t7z by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 44
分子名称: ACE-CYS-ASA-4FB-GLU-THR-GLY-GLU-CYS-NH2, ACETATE ION, Kelch-like ECH-associated protein 1
著者Colarusso, S.
登録日2019-10-23
公開日2020-09-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction.
Bioorg.Med.Chem., 28, 2020
6T7V
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BU of 6t7v by Molmil
KEAP1 IN COMPLEX WITH PEPTIDE 8
分子名称: ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU
著者Colarusso, S.
登録日2019-10-23
公開日2020-09-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction.
Bioorg.Med.Chem., 28, 2020
1DXW
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structure of hetero complex of non structural protein (NS) of hepatitis C virus (HCV) and synthetic peptidic compound
分子名称: N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, SERINE PROTEASE, ZINC ION
著者Barbato, G, Cicero, D.O, Cordier, F, Narjes, F, Gerlach, B, Sambucini, S, Grzesiek, S, Matassa, V.G, Defrancesco, R, Bazzo, R.
登録日2000-01-17
公開日2001-01-12
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Inhibitor Binding Induces Active Site Stabilisation of the Hcv Ns3 Protein Serine Protease Domain
Embo J., 19, 2000

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