7AAI
 
 | | Crystal structure of Human serum albumin in complex with perfluorooctanoic acid (PFOA) at 2.10 Angstrom Resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unveiling the binding mode of perfluorooctanoic acid to human serum albumin.
Protein Sci., 30, 2021
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7AAE
 | | Crystal structure of Human serum albumin in complex with myristic acid at 2.27 Angstrom Resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, FORMIC ACID, ... | | Authors: | Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Unveiling the binding mode of perfluorooctanoic acid to human serum albumin.
Protein Sci., 30, 2021
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6IDV
 | | Peptide Asparaginyl Ligases from Viola yedoensis | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | El Sahili, A, Hu, S, Lescar, J. | | Deposit date: | 2018-09-11 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural determinants for peptide-bond formation by asparaginyl ligases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5R80
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z18197050 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, methyl 4-sulfamoylbenzoate | | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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6IBJ
 | | Copper binding protein from Laetisaria arvalis (LaX325) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity CAZyme, COPPER (II) ION | | Authors: | Frandsen, K.E.H, Tandrup, T, Labourel, A, Haon, M, Berrin, J.-G, Lo Leggio, L. | | Deposit date: | 2018-11-30 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A fungal family of lytic polysaccharide monooxygenase-like copper proteins.
Nat.Chem.Biol., 16, 2020
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4ZKL
 | | Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with JB419 (AP4A analog) | | Descriptor: | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Dolot, R.M, Kaczmarek, R, Seda, A, Krakowiak, A, Baraniak, J, Nawrot, B. | | Deposit date: | 2015-04-30 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystallographic studies of the complex of human HINT1 protein with a non-hydrolyzable analog of Ap4A.
Int.J.Biol.Macromol., 87, 2016
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7ZB7
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Y54F at 1.63 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
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7ZB6
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant C44S at 2.12 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
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6ZM0
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4PJ1
 | | Crystal structure of the human mitochondrial chaperonin symmetrical 'football' complex | | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | | Authors: | Frolow, F, Azem, A, Nisemblat, S. | | Deposit date: | 2014-05-10 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structure of the human mitochondrial chaperonin symmetrical football complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7ZB8
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant K61A at 2.48 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
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6E20
 | | Crystal structure of the Dario rerio galectin-1-L2 | | Descriptor: | Galectin, MAGNESIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Ghosh, A, Bianchet, M.A. | | Deposit date: | 2018-07-10 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the zebrafish galectin-1-L2 and model of its interaction with the infectious hematopoietic necrosis virus (IHNV) envelope glycoprotein.
Glycobiology, 29, 2019
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6X10
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with haloperidol | | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-17 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
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6RJ3
 | | Crystal structure of PHGDH in complex with compound 15 | | Descriptor: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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6IGU
 | | Crystal structure of the hydrolytic antibody Fab 9C10 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IMMUNOGLOBULIN 9C10 H CHAIN, IMMUNOGLOBULIN 9C10 L CHAIN, ... | | Authors: | Yamaguchi, A, Tada, T, Tsuchiya, Y, Tsumuraya, T, Fujii, I. | | Deposit date: | 2018-09-26 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of the complex of the hydrolytic antibody Fab 9C10 and a transition-state analog
To Be Published
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6UGD
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6TZA
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5E3J
 | | The response regulator RstA is a potential drug target for Acinetobacter baumannii | | Descriptor: | Response regulator RstA | | Authors: | Russo, T.A, Manohar, A, Beanan, J.M, Olson, R, MacDonald, U, Graham, J, Umland, T.C. | | Deposit date: | 2015-10-02 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Response Regulator BfmR Is a Potential Drug Target for Acinetobacter baumannii.
Msphere, 1, 2016
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6IBH
 | | Copper binding protein from Laetisaria arvalis (LaX325) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity CAZyme, COPPER (II) ION, ... | | Authors: | Frandsen, K.E.H, Tandrup, T, Labourel, A, Haon, M, Berrin, J.-G, Lo Leggio, L. | | Deposit date: | 2018-11-30 | | Release date: | 2019-11-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A fungal family of lytic polysaccharide monooxygenase-like copper proteins.
Nat.Chem.Biol., 16, 2020
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6IC2
 | | Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII | | Descriptor: | Carbonic anhydrase 2, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, ZINC ION | | Authors: | Angeli, A, Ferraroni, M, Supuran, C.T, Carta, F. | | Deposit date: | 2018-12-01 | | Release date: | 2019-05-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII.
Chem.Commun.(Camb.), 55, 2019
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6WMK
 | | Crystal structure of beta sheet heterodimer LHD29 | | Descriptor: | Beta sheet heterodimer LHD29 - Chain A, Beta sheet heterodimer LHD29 - Chain B | | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2020-04-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
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4ZIZ
 | | Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase (C-Phycocyanin from T. elongatus) | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V. | | Deposit date: | 2015-04-28 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Serial femtosecond crystallography of soluble proteins in lipidic cubic phase.
IUCrJ, 2, 2015
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6IKO
 | | Crystal structure of mouse GAS7cb | | Descriptor: | Growth arrest-specific protein 7 | | Authors: | Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S. | | Deposit date: | 2018-10-16 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.756 Å) | | Cite: | Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7.
Nat Commun, 10, 2019
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1EAE
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5R7Z
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1220452176 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide | | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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