4QUS
 
 | | 1.28 Angstrom resolution crystal structure of predicted acyltransferase with acyl-CoA N-acyltransferase domain (ypeA) from Escherichia coli str. K-12 substr. MG1655 | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase YpeA, PHOSPHATE ION | | Authors: | Halavaty, A.S, Filippova, E.V, Minasov, G, Flores, K.J, Dubrovska, I, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-07-11 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | 1.28 Angstrom resolution crystal structure of predicted acyltransferase with acyl-CoA N-acyltransferase domain (ypeA) from Escherichia coli str. K-12 substr. MG1655
To be Published
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7EZH
 | | Cryo-EM structure of an activated Cholecystokinin A receptor (CCKAR)-Gi complex | | Descriptor: | Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Q.F, Yang, D.H, Zhuang, Y.W, Croll, T.I, Cai, X.Q, Duan, J, Dai, A.T, Yin, W.C, Ye, C.Y, Zhou, F.L, Wu, B.L, Zhao, Q, Xu, H.E, Wang, M.W, Jiang, Y. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-25 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Ligand recognition and G-protein coupling selectivity of cholecystokinin A receptor
Nat.Chem.Biol., 17, 2021
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7EZM
 | | Cryo-EM structure of an activated Cholecystokinin A receptor (CCKAR)-Gq complex | | Descriptor: | Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Q.F, Yang, D.H, Zhuang, Y.W, Croll, T.I, Cai, X.Q, Duan, J, Dai, A.T, Yin, W.C, Ye, C.Y, Zhou, F.L, Wu, B.L, Zhao, Q, Xu, H.E, Wang, M.W, Jiang, Y. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-25 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Ligand recognition and G-protein coupling selectivity of cholecystokinin A receptor
Nat.Chem.Biol., 17, 2021
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5K1V
 | | Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ... | | Authors: | Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E. | | Deposit date: | 2016-05-18 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.897 Å) | | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
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6MXT
 | | Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ... | | Authors: | Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K. | | Deposit date: | 2018-10-31 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95934224 Å) | | Cite: | Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist.
Nat. Chem. Biol., 14, 2018
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8PPK
 | | Bat-Hp-CoV Nsp1 and eIF1 bound to the human 40S small ribosomal subunit | | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N. | | Deposit date: | 2023-07-07 | | Release date: | 2023-10-18 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Mol.Cell, 83, 2023
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8PPL
 | | MERS-CoV Nsp1 bound to the human 43S pre-initiation complex | | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N. | | Deposit date: | 2023-07-07 | | Release date: | 2023-10-18 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Mol.Cell, 83, 2023
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7YPI
 | | Spiral hexamer of the substrate-free Lon protease with a Y224S mutation | | Descriptor: | Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Li, S, Hsieh, K.Y, Kuo, C.I, Lee, S.H, Ho, M.R, Wang, C.H, Zhang, K, Chang, C.I. | | Deposit date: | 2022-08-03 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A 5+1 assemble-to-activate mechanism of the Lon proteolytic machine.
Nat Commun, 14, 2023
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5MF4
 | | Tubulin-Dictyostatin complex | | Descriptor: | (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega, 1, 2016
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3C7K
 | | Molecular architecture of Galphao and the structural basis for RGS16-mediated deactivation | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(o) subunit alpha, MAGNESIUM ION, ... | | Authors: | Slep, K.C, Kercher, M.A, Wieland, T, Chen, C, Simon, M.I, Sigler, P.B. | | Deposit date: | 2008-02-07 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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7YPH
 | | Open-spiral pentamer of the substrate-free Lon protease with a Y224S mutation | | Descriptor: | Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Li, S, Hsieh, K.Y, Kuo, C.I, Lee, S.H, Ho, M.R, Wang, C.H, Zhang, K, Chang, C.I. | | Deposit date: | 2022-08-03 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | A 5+1 assemble-to-activate mechanism of the Lon proteolytic machine.
Nat Commun, 14, 2023
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6MNS
 | | Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide | | Descriptor: | Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, Envelope glylcoprotein, ... | | Authors: | Nicely, N.I. | | Deposit date: | 2018-10-02 | | Release date: | 2019-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations.
Nat Commun, 10, 2019
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7ZOR
 | | Crystal structure of anti-Siglec-15 Fab | | Descriptor: | Anti-siglec15 FAB HC, Anti-siglec15 FAB LC | | Authors: | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | | Deposit date: | 2022-04-26 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.933 Å) | | Cite: | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
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4R8F
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4RCO
 | | 1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX. | | Descriptor: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, Putative uncharacterized protein | | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E, Halavaty, A, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-09-16 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.
TO BE PUBLISHED
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1MUJ
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3CMS
 | | ENGINEERING ENZYME SUB-SITE SPECIFICITY: PREPARATION, KINETIC CHARACTERIZATION AND X-RAY ANALYSIS AT 2.0-ANGSTROMS RESOLUTION OF VAL111PHE SITE-MUTATED CALF CHYMOSIN | | Descriptor: | CHYMOSIN B | | Authors: | Newman, M, Frazao, C, Shearer, A, Tickle, I.J, Blundell, T.L. | | Deposit date: | 1990-02-26 | | Release date: | 1992-10-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering enzyme subsite specificity: preparation, kinetic characterization, and X-ray analysis at 2.0-A resolution of Val111Phe site-mutated calf chymosin.
Biochemistry, 29, 1990
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6N35
 | | Anti-HIV-1 Fab 2G12 + Man1-2 re-refinement | | Descriptor: | BENZOIC ACID, Fab 2G12 heavy chain, Fab 2G12 light chain, ... | | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2018-11-14 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
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5MVV
 | | Crystal structure of Plasmodium falciparum actin I- gelsolin segment 1 -CdATP complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-1, CADMIUM ION, ... | | Authors: | Panneerselvam, S, Kumpula, E.-P, Kursula, I, Burkhardt, A, Meents, A. | | Deposit date: | 2017-01-17 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rapid cadmium SAD phasing at the standard wavelength (1 angstrom ).
Acta Crystallogr D Struct Biol, 73, 2017
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6MU3
 | | Anti-HIV-1 Fab 2G12 + Man7 re-refinement | | Descriptor: | Fab 2G12, heavy chain, light chain, ... | | Authors: | Wilson, I.A, Calarese, D.A, Stanfield, R.L. | | Deposit date: | 2018-10-22 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.327 Å) | | Cite: | Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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4R2G
 | | Crystal Structure of PGT124 Fab bound to HIV-1 JRCSF gp120 core and to CD4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Garces, F, Wilson, I.A. | | Deposit date: | 2014-08-11 | | Release date: | 2014-10-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.283 Å) | | Cite: | Structural Evolution of Glycan Recognition by a Family of Potent HIV Antibodies.
Cell(Cambridge,Mass.), 159, 2014
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7F3V
 | | Crystal structure of YfiH with C107A mutation in complex with endogenous UDP-MurNAc | | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | | Authors: | Lee, M.S, Hsieh, K.Y, Chang, C.I. | | Deposit date: | 2021-06-17 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural Basis for the Peptidoglycan-Editing Activity of YfiH.
Mbio, 13, 2021
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8QJS
 | | VHL/Elongin B/Elongin C complex with compound 155 | | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | Deposit date: | 2023-09-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.191 Å) | | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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5MU6
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Perez-Dorado, I, Bell, A.S, Tate, E.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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3CIG
 | | Crystal structure of mouse TLR3 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R. | | Deposit date: | 2008-03-11 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structural basis of toll-like receptor 3 signaling with double-stranded RNA.
Science, 320, 2008
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