8DD4
| PI 3-kinase alpha with nanobody 3-142 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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7QPW
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1YSB
| Yeast Cytosine Deaminase Triple Mutant | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | Deposit date: | 2005-02-08 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational thermostabilization of an enzyme. Science, 308, 2005
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5LFA
| Crystal structure of iron-sulfur cluster containing bacterial (6-4) photolyase PhrB - Y424F mutant with impaired DNA repair activity | Descriptor: | (6-4) photolyase, 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kwiatkowski, D, Zhang, F, Krauss, N, Lamparter, T, Scheerer, P. | Deposit date: | 2016-06-30 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity. Photochem. Photobiol., 93, 2017
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2UWE
| Large CDR3a loop alteration as a function of MHC mutation | Descriptor: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | Authors: | Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J. | Deposit date: | 2007-03-20 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding. J.Mol.Biol., 373, 2007
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8DD8
| PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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5LFJ
| Crystal Structure of the Bacterial Proteasome Activator Bpa of Mycobacterium tuberculosis | Descriptor: | Bacterial proteasome activator | Authors: | Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E. | Deposit date: | 2016-07-01 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome. Structure, 24, 2016
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2J79
| Beta-glucosidase from Thermotoga maritima in complex with galacto- hydroximolactam | Descriptor: | (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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1YL8
| 3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO | Descriptor: | [Tyr3]Octreotate peptide | Authors: | Spyroulias, G.A, Galanis, A.S, Petrou, C, Vahliotis, D, Sotiriou, P, Nikolopoulou, A, Nock, B, Maina, T, Cordopatis, P. | Deposit date: | 2005-01-19 | Release date: | 2005-09-20 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | 3D solution structure of [Tyr3]octreotate derivatives in DMSO: structure differentiation of peptide core due to chelate group attachment and biologically active conformation. Med.Chem., 1, 2005
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7QCJ
| Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,4-dihydroxybenzylidene)-thiosemicarbazone | Descriptor: | CHLORIDE ION, GLYCEROL, N-(2,4-dihydroxybenzylidene)-thiosemicarbazone, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-24 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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2V9N
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1YL9
| 3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO | Descriptor: | 3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL, [Tyr3]Octreotate | Authors: | Spyroulias, G.A, Galanis, A.S, Petrou, C, Vahliotis, D, Sotiriou, P, Nikolopoulou, A, Nock, B, Maina, T, Cordopatis, P. | Deposit date: | 2005-01-19 | Release date: | 2005-09-20 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | 3D solution structure of [Tyr3]octreotate derivatives in DMSO: structure differentiation of peptide core due to chelate group attachment and biologically active conformation. Med.Chem., 1, 2005
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6U5H
| CryoEM Structure of Pyocin R2 - precontracted - hub | Descriptor: | Probable bacteriophage protein Pyocin R2 | Authors: | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | Deposit date: | 2019-08-27 | Release date: | 2020-04-15 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Action of a minimal contractile bactericidal nanomachine. Nature, 580, 2020
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7QPY
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2UUO
| Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | Descriptor: | N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | Deposit date: | 2007-03-06 | Release date: | 2008-03-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme. J. Med. Chem., 51, 2008
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7ZVF
| Crystal structure of human cathepsin L in complex with covalently bound CLIK148 | Descriptor: | (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide, 1,2-ETHANEDIOL, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Tsuge, H, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-05-15 | Release date: | 2023-11-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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7QCG
| Structure of SARS-CoV-2 Papain-like Protease bound to N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone | Descriptor: | 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-23 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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8A8F
| Crystal structure of Glc7 phosphatase in complex with the regulatory region of Ref2 | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, RNA end formation protein 2, ... | Authors: | Carminati, M, Manav, C.M, Bellini, D, Passmore, L.A. | Deposit date: | 2022-06-22 | Release date: | 2023-11-29 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A direct interaction between CPF and RNA Pol II links RNA 3' end processing to transcription. Mol.Cell, 83, 2023
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7QCH
| Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,5-dimethoxy-4-hydroxybenzyliden)thiosemicarbazone | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-24 | Release date: | 2022-03-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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5LMX
| Monomeric RNA polymerase I at 4.9 A resolution | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Torreira, E, Louro, J.A, Gil-Carton, D, Gallego, O, Calvo, O, Fernandez-Tornero, C. | Deposit date: | 2016-08-02 | Release date: | 2017-03-22 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | The dynamic assembly of distinct RNA polymerase I complexes modulates rDNA transcription. Elife, 6, 2017
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2X7E
| Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol | Descriptor: | (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | Authors: | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | Deposit date: | 2010-02-26 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol. J.Med.Chem., 53, 2010
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2WTH
| Low resolution 3D structure of C.elegans globin-like protein (GLB-1): P3121 crystal form | Descriptor: | GLOBIN-LIKE PROTEIN, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Geuens, E, Hoogewijs, D, Nardini, M, Vinck, E, Pesce, A, Kiger, L, Fago, A, Tilleman, L, De Henau, S, Marden, M, Weber, R.E, Van Doorslaer, S, Vanfleteren, J, Moens, L, Bolognesi, M, Dewilde, S. | Deposit date: | 2009-09-16 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Globin-Like Proteins in Caenorhabditis Elegans: In Vivo Localization, Ligand Binding and Structural Properties. Bmc Biochem., 11, 2010
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5LPB
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8DCX
| PI 3-kinase alpha with nanobody 3-159 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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5LPG
| Structure of NUDT15 in complex with 6-thio-GMP | Descriptor: | MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Masuyer, G, Carter, M, Rehling, D, Stenmark, P, Helleday, T, Jemth, A.-S, Valerie, N.C.K, Homan, E, Herr, P, Bevc, L, Page, B.D.G, Hagenkort, A. | Deposit date: | 2016-08-12 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | NUDT15 Hydrolyzes 6-Thio-DeoxyGTP to Mediate the Anticancer Efficacy of 6-Thioguanine. Cancer Res., 76, 2016
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