4AH2
 
 | | HLA-DR1 with covalently linked CLIP106-120 in canonical orientation | | Descriptor: | GLYCEROL, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN GAMMA CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN,DRB1-1 BETA CHAIN, ... | | Authors: | Schlundt, A, Guenther, S, Sticht, J, Wieczorek, M, Roske, Y, Heinemann, U, Freund, C. | | Deposit date: | 2012-02-03 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex.
J.Mol.Biol., 423, 2012
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6SSP
 | | Structure of the pentameric ligand-gated ion channel ELIC in complex with a NAM nanobody | | Descriptor: | CALCIUM ION, Cys-loop ligand-gated ion channel, NANOBODY 21, ... | | Authors: | Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J. | | Deposit date: | 2019-09-09 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site.
Elife, 9, 2020
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4AEN
 | | HLA-DR1 with covalently linked CLIP106-120 in reversed orientation | | Descriptor: | GLYCEROL, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN GAMMA CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Schlundt, A, Guenther, S, Sticht, J, Wieczorek, M, Roske, Y, Heinemann, U, Freund, C. | | Deposit date: | 2012-01-11 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex.
J.Mol.Biol., 423, 2012
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7BWM
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7BH9
 | | SARS-CoV-2 RBD-62 in complex with ACE2 peptidase domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Elad, N, Dym, O, Zahradnik, J, Schreiber, G. | | Deposit date: | 2021-01-11 | | Release date: | 2021-02-17 | | Last modified: | 2021-09-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | SARS-CoV-2 variant prediction and antiviral drug design are enabled by RBD in vitro evolution.
Nat Microbiol, 6, 2021
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6GN7
 | | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of sodium ions. | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Troisi, R, Russo Krauss, I, Sica, F. | | Deposit date: | 2018-05-30 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer.
Nucleic Acids Res., 46, 2018
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7QE5
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6ZWV
 | | Cryo-EM structure of SARS-CoV-2 Spike Proteins on intact virions: 3 Closed RBDs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Ke, Z, Qu, K, Nakane, T, Xiong, X, Cortese, M, Zila, V, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-28 | | Release date: | 2020-08-05 | | Last modified: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and distributions of SARS-CoV-2 spike proteins on intact virions.
Nature, 588, 2020
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5NAN
 | | Crystal Structure of human IL-17AF in complex with human IL-17RA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | | Authors: | Rondeau, J.-M, Goepfert, A. | | Deposit date: | 2017-02-28 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
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6SRU
 | | Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1) | | Descriptor: | Programmed cell death 1 ligand 1 | | Authors: | Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A. | | Deposit date: | 2019-09-06 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.532 Å) | | Cite: | Human and mouse PD-L1: similar molecular structure, but different druggability profiles.
Iscience, 24, 2021
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2CYG
 | | Crystal structure at 1.45- resolution of the major allergen endo-beta-1,3-glucanase of banana as a molecular basis for the latex-fruit syndrome | | Descriptor: | beta-1, 3-glucananse | | Authors: | Receveur-Brechot, V, Czjzek, M, Barre, A, Roussel, A, Peumans, W.J, Van Damme, E.J.M, Rouge, P. | | Deposit date: | 2005-07-07 | | Release date: | 2005-11-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure at 1.45-A resolution of the major allergen endo-beta-1,3-glucanase of banana as a molecular basis for the latex-fruit syndrome
Proteins, 63, 2006
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3BJ9
 | | Crystal structure of the Surrogate Light Chain Variable Domain VpreBJ | | Descriptor: | 1,2-ETHANEDIOL, Immunoglobulin iota chain, Immunoglobulin lambda-like polypeptide 1 | | Authors: | Morstadt, L.M, Bohm, A.A, Stollar, B.D, Baleja, J.D. | | Deposit date: | 2007-12-03 | | Release date: | 2008-03-04 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering and characterization of a single chain surrogate light chain variable domain.
Protein Sci., 17, 2008
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7BBX
 | | Neisseria gonorrhoeae transaldolase, variant K8A | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase | | Authors: | Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K. | | Deposit date: | 2020-12-18 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
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7BBW
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6SSI
 | | Structure of the pentameric ligand-gated ion channel ELIC in complex with a PAM nanobody | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J. | | Deposit date: | 2019-09-07 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site.
Elife, 9, 2020
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6FFA
 | | FMDV Leader protease bound to substrate ISG15 | | Descriptor: | GLYCEROL, Lbpro, SULFATE ION, ... | | Authors: | Swatek, K.N, Pruneda, J.N, Komander, D. | | Deposit date: | 2018-01-05 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Irreversible inactivation of ISG15 by a viral leader protease enables alternative infection detection strategies.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7AMA
 | | IL-17A in complex with small molecule modulators | | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide | | Authors: | Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M. | | Deposit date: | 2020-10-08 | | Release date: | 2022-04-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases.
J.Med.Chem., 65, 2022
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7AMG
 | | IL-17A in complex with small molecule modulators | | Descriptor: | (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid, Interleukin-17A | | Authors: | Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M. | | Deposit date: | 2020-10-08 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases.
J.Med.Chem., 65, 2022
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5NQG
 | | Crystal structure of Plasmodium vivax AMA1 in complex with a 39 aa PvRON2 peptide | | Descriptor: | Apical merozoite antigen 1, RON2 | | Authors: | Vulliez-le Normand, B, Saul, F.A, Faber, B.W, Bentley, G.A. | | Deposit date: | 2017-04-20 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Cross-reactivity between apical membrane antgen 1 and rhoptry neck protein 2 in P. vivax and P. falciparum: A structural and binding study.
PLoS ONE, 12, 2017
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5N4G
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7A9D
 | | Crystal structure of H12 Haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Xiong, X, Walker, P, Zhang, J, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Hemagglutinin Structure and Activities.
Cold Spring Harb Perspect Med, 11, 2021
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6ZRK
 | | Crystal structure of H8 haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Xiong, X, Walker, P, Zhang, J, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-07-13 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hemagglutinin Structure and Activities.
Cold Spring Harb Perspect Med, 11, 2021
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7BJ3
 | | ScpA from Streptococcus pyogenes, S512A active site mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ... | | Authors: | Kagawa, T.F, O'Connell, M.R, Cooney, J.C. | | Deposit date: | 2021-01-13 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease.
Comput Struct Biotechnol J, 19, 2021
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2W91
 | | Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D. | | Descriptor: | ENDO-BETA-N-ACETYLGLUCOSAMINIDASE D, PENTAETHYLENE GLYCOL | | Authors: | Abbott, D.W, Macauley, M.S, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2009-01-21 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Streptococcus Pneumoniae Endohexosaminidase D, Structural and Mechanistic Insight Into Substrate-Assisted Catalysis in Family 85 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
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7BEA
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | | Descriptor: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine, Programmed cell death 1 ligand 1 | | Authors: | Magiera-Mularz, K, Butera, R, Wazynska, M, Holak, T, Domling, A. | | Deposit date: | 2020-12-22 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists.
Acs Med.Chem.Lett., 12, 2021
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