7SUS
 
 | | Crystal structure of Apelin receptor in complex with small molecule | | Descriptor: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ... | | Authors: | Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M. | | Deposit date: | 2021-11-18 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
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5M8E
 | | Crystal structure of a GH43 arabonofuranosidase from Weissella sp. strain 142 | | Descriptor: | Alpha-N-arabinofuranosidase, CALCIUM ION, GLYCEROL, ... | | Authors: | Linares-Pasten, J, Logan, D.T, Nordberg Karlsson, E. | | Deposit date: | 2016-10-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structures and functional studies of two GH43 arabinofuranosidases from Weissella sp. strain 142 and Lactobacillus brevis.
FEBS J., 284, 2017
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6AZ0
 | | Mitochondrial ATPase Protease YME1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Puchades, C, Rampello, A.J, Shin, M, Giuliano, C, Wiseman, R.L, Glynn, S.E, Lander, G.C. | | Deposit date: | 2017-09-09 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the mitochondrial inner membrane AAA+ protease YME1 gives insight into substrate processing.
Science, 358, 2017
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6BG4
 | | Caspase-3 Mutant- T152D | | Descriptor: | AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, CHLORIDE ION, ... | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-27 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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3IOQ
 | | Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64. | | Descriptor: | 1,2-ETHANEDIOL, CMS1MS2, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | | Authors: | Gomes, M.T.R, Teixeira, R.D, Salas, C.E, Nagem, R.A.P. | | Deposit date: | 2009-08-14 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64
To be Published
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6F86
 | | Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide | | Descriptor: | 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | | Deposit date: | 2017-12-12 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
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6V1C
 | | Crystal structure of human trefoil factor 3 in complex with its cognate ligand | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3 | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | | Deposit date: | 2019-11-20 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
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6FBZ
 | | Crystal structure of the eIF4E-eIF4G complex from Chaetomium thermophilum in the cap-bound state | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-like protein,Eukaryotic translation initiation factor 4E-like protein, Eukaryotic translation initiation factor 4G | | Authors: | Gruener, S, Valkov, E. | | Deposit date: | 2017-12-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.496 Å) | | Cite: | Structural motifs in eIF4G and 4E-BPs modulate their binding to eIF4E to regulate translation initiation in yeast.
Nucleic Acids Res., 46, 2018
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8UM3
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-10-17 | | Release date: | 2023-11-01 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
To Be Published
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6EYM
 | | Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-09-12 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
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7SO8
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4Y77
 | | Yeast 20S proteasome in complex with Ac-LAF-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAF-ep, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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7QGX
 | | Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | | Descriptor: | 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, MALONATE ION, ... | | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-12-10 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Pharmaceuticals, 15, 2022
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6GS4
 | | Crystal structure of peptide transporter DtpA-nanobody in complex with valganciclovir | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Dipeptide and tripeptide permease A, [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate, ... | | Authors: | Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C. | | Deposit date: | 2018-06-13 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.645 Å) | | Cite: | Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1.
J. Am. Chem. Soc., 141, 2019
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6V66
 | | EGFR(T790M/V948R) in complex with LN2899 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | | Authors: | Heppner, D.E, Eck, M.J. | | Deposit date: | 2019-12-04 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
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8TTW
 | | Cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with temsavir, 8ANC195, and 10-1074 | | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tolbert, W.D, Pozharski, E, Pazgier, M. | | Deposit date: | 2023-08-15 | | Release date: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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6GXF
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM1 | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | | Deposit date: | 2018-06-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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5EUE
 | | S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide | | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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5EUD
 | | S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide | | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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7LJC
 | | Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein | | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ... | | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
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6H0B
 | | Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ... | | Authors: | de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R. | | Deposit date: | 2018-07-08 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
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7LJD
 | | Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
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7QPA
 | | Outward-facing auxin bound form of auxin transporter PIN8 | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 8 | | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | Deposit date: | 2022-01-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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6F8V
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-18b | | Descriptor: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
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6F94
 | | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide | | Descriptor: | 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide, DNA gyrase subunit B | | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | | Deposit date: | 2017-12-14 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
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