9FLA
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9C20
| The Sialidase NanJ in complex with Neu5,9Ac | Descriptor: | 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, exo-alpha-sialidase | Authors: | Medley, B.J, Low, K.E, Garber, J.M, Gray, T.E, Leeann, L.L, Fordwour, O.B, Inglis, G.D, Boons, G.J, Zandberg, W.F, Abbott, W, Boraston, A. | Deposit date: | 2024-05-30 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | NanJ sialidase in complex with Neu5,9Ac To Be Published
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8VZ0
| Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-400 | Descriptor: | (1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
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6DXX
| Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ... | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | Deposit date: | 2018-07-01 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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9BJO
| Cryo-EM of Azo-ffsy fiber | Descriptor: | D-peptide ffsy | Authors: | Zia, A, Guo, J, Xu, B, Wang, F. | Deposit date: | 2024-04-25 | Release date: | 2024-09-18 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cell-Free Nonequilibrium Assembly for Hierarchical Protein/Peptide Nanopillars. J.Am.Chem.Soc., 146, 2024
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9BZB
| Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2 | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, SULFATE ION, ... | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2 To Be Published
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8YYR
| Structure of the HitB T293G mutant | Descriptor: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate | Authors: | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2024-04-04 | Release date: | 2024-06-05 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 25, 2024
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9EWO
| Mpro from SARS-CoV-2 with R4A R298A double mutations | Descriptor: | Non-structural protein 11, SULFATE ION | Authors: | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | Deposit date: | 2024-04-04 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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8W08
| Crystal Structure of the worst case reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood | Descriptor: | FLUORIDE ION, Triosephosphate isomerase | Authors: | Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A. | Deposit date: | 2024-02-13 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase. Protein Sci., 33, 2024
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8VZ1
| Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-409 | Descriptor: | 4,4'-[(1S,4S,5R)-5-(6-methoxy-3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
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9DAM
| A DARPin fused to the 1TEL crystallization chaperone via a direct helical fusion | Descriptor: | ACETIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E.W, Nickles, R, Doukov, T, Moody, J.D. | Deposit date: | 2024-08-22 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
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9DCG
| Crystal Structure of the Thiol:Disulfide Interchange Protein DsbC from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Kim, Y, Maltseva, N, Shatsman, S, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-08-26 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of the Thiol:Disulfide Interchange Protein DsbC from Vibrio cholerae To Be Published
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9EWN
| Mpro from SARS-CoV-2 with 4Q mutation | Descriptor: | Non-structural protein 11 | Authors: | Plewka, J, Lis, K, Czarna, A, Kantyka, T, Pyrc, K. | Deposit date: | 2024-04-04 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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8YYQ
| Structure of the HitB F328L mutant | Descriptor: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate | Authors: | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2024-04-04 | Release date: | 2024-06-05 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 25, 2024
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8ZRT
| Cryo-EM structure focused on the receptor of the ET-1 bound ETBR-DNGI complex | Descriptor: | Endothelin receptor type B, Endothelin-1 | Authors: | Tani, K, Maki-Yonekura, S, Kanno, R, Negami, T, Hamaguchi, T, Hall, M, Mizoguchi, A, Humbel, B.M, Terada, T, Yonekura, K, Doi, T. | Deposit date: | 2024-06-05 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structure of endothelin ETB receptor-Gi complex in a conformation stabilized by the unique NPxxL motif Commun Biol, 2024
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6TP4
| Crystal structure of the Orexin-1 receptor in complex with ACT-462206 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-12 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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9EM3
| OPR3 wild type in its monomeric form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | Deposit date: | 2024-03-07 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer. Sci Rep, 14, 2024
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9EM6
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9EPL
| Mpro from SARS-CoV-2 with 298Q mutation | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ... | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | Deposit date: | 2024-03-18 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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7KMH
| LY-CoV488 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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8XW8
| Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and GDP | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Nakashima, R, Taguchi, A. | Deposit date: | 2024-01-16 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Nucleotide Selectivity in Pyruvate Kinase. J.Mol.Biol., 436, 2024
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9C4D
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6TPG
| Crystal structure of the Orexin-2 receptor in complex with EMPA at 2.74 A resolution | Descriptor: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-13 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.741 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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8W05
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8Y0F
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