5NH1
 
 | | Structure of the C-terminal domain of human Gasdermin D | | Descriptor: | Gasdermin-D | | Authors: | Anton, L, Sborgi, L, Hiller, S, Broz, P, Maier, T. | | Deposit date: | 2017-03-21 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Insights into Gasdermin D activation from the crystal structure of its C-terminal domain
Biorxiv, 2017
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1T5R
 | | STRUCTURE OF THE PANTON-VALENTINE LEUCOCIDIN S COMPONENT FROM STAPHYLOCOCCUS AUREUS | | Descriptor: | LukS-PV | | Authors: | Guillet, V, Roblin, P, Keller, D, Prevost, G, Mourey, L. | | Deposit date: | 2004-05-05 | | Release date: | 2004-08-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of leucotoxin S component: new insight into the Staphylococcal beta-barrel pore-forming toxins.
J.Biol.Chem., 279, 2004
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5HD7
 | | Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | | Deposit date: | 2016-01-04 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
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6GJ4
 | | Tubulin-6j complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ... | | Authors: | Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S. | | Deposit date: | 2018-05-16 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
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8PHL
 | | Human carbonic anhydrase II containing 4-fluorophenylalanine | | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION | | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | | Deposit date: | 2023-06-20 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
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8OZ3
 | | Crystal structure of scFv ATOR 1017 bound to human 4-1BB | | Descriptor: | Single chain Fv, Tumor necrosis factor receptor superfamily member 9 | | Authors: | Hakansson, M, Von Schantz, L, Rose, N. | | Deposit date: | 2023-05-08 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023
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4CAS
 | | Serial femtosecond crystallography structure of a photosynthetic reaction center | | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | Authors: | Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
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8P6U
 | | Human carbonic anhydrase II containing 5-fluorotryptophanes | | Descriptor: | BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
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5LFG
 | | X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO). | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ... | | Authors: | Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A. | | Deposit date: | 2016-07-01 | | Release date: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin.
Chemistry, 23, 2017
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5FYX
 | | Crystal structure of Drosophila NCS-1 bound to penothiazine FD16 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FREQUENIN 2, ... | | Authors: | Martinez-Gonzalez, L, Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J. | | Deposit date: | 2016-03-10 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ZAS
 | | Crystal structure of 5-formylcytosine containing decamer dsDNA | | Descriptor: | BICARBONATE ION, DNA (5'-D(*CP*CP*AP*GP*(5FC)P*GP*CP*TP*GP*G)-3') | | Authors: | Fu, T.R, Zhang, L. | | Deposit date: | 2018-02-08 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
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2XB9
 | | Structure of Helicobacter pylori type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3-dehydroquinic acid | | Descriptor: | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CITRIC ACID | | Authors: | Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2010-04-08 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids.
Chemmedchem, 5, 2010
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2VD4
 | | Structure of small-molecule inhibitor of Glmu from Haemophilus influenzae reveals an allosteric binding site | | Descriptor: | 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide, BIFUNCTIONAL PROTEIN GLMU, MAGNESIUM ION, ... | | Authors: | Mochalkin, I, Lightle, S, McDowell, L. | | Deposit date: | 2007-09-28 | | Release date: | 2008-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a Small-Molecule Inhibitor Complexed with Glmu from Haemophilus Influenzae Reveals an Allosteric Binding Site.
Protein Sci., 17, 2008
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5FUT
 | | Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25) | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA | | Authors: | Serran-Aguilera, L, Denton, H, Rubio-Ruiz, B, Lopez-Gutierrez, B, Entrena, A, Izquierdo, L, Smith, T.K, Conejo-Garcia, A, Hurtado-Guerrero, R. | | Deposit date: | 2016-01-29 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Plasmodium Falciparum Choline Kinase Inhibition Leads to a Major Decrease in Phosphatidylethanolamine Causing Parasite Death.
Sci.Rep., 6, 2016
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7LS9
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7LSS
 | | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2-7 variable heavy chain, ... | | Authors: | Rapp, M, Shapiro, L. | | Deposit date: | 2021-02-18 | | Release date: | 2021-03-17 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies.
Structure, 29, 2021
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5HXG
 | | STM1697-FlhD complex | | Descriptor: | Flagellar transcriptional regulator FlhD, Uncharacterized protein STM1697 | | Authors: | Li, B, Yuan, Z, Qin, L, Gu, L. | | Deposit date: | 2016-01-30 | | Release date: | 2017-02-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Crystal structure of STM1697-FlhD complex
To Be Published
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2VV1
 | | hPPARgamma Ligand binding domain in complex with 4-HDHA | | Descriptor: | (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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6C6P
 | | Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598 | | Descriptor: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Padyana, A.K, Jin, L. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
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4MVF
 | | Crystal Structure of Plasmodium falciparum CDPK2 complexed with inhibitor staurosporine | | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase 2, GLYCEROL, ... | | Authors: | Lauciello, L, Pernot, L, Scapozza, L, Perozzo, R. | | Deposit date: | 2013-09-24 | | Release date: | 2014-09-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | P. falciparum Calcium-Dependent Protein Kinase 2 (PfCDPK2): First Crystal Structure and Virtual Ligand Screening
To be Published
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1KS0
 | | The First Fibronectin Type II Module from Human Matrix Metalloproteinase 2 | | Descriptor: | Matrix Metalloproteinase 2 | | Authors: | Gehrmann, M, Briknarova, K, Banyai, L, Patthy, L, Llinas, M. | | Deposit date: | 2002-01-10 | | Release date: | 2002-02-20 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The col-1 module of human matrix metalloproteinase-2 (MMP-2): structural/functional relatedness between gelatin-binding fibronectin type II modules and lysine-binding kringle domains.
Biol.Chem., 383, 2002
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2VV2
 | | hPPARgamma Ligand binding domain in complex with 5-HEPA | | Descriptor: | (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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2WQB
 | | Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor | | Descriptor: | 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR | | Authors: | Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A. | | Deposit date: | 2009-08-18 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo.
Bioorg.Med.Chem.Lett., 19, 2009
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4ETA
 | | Lysozyme, room temperature, 400 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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2XTE
 | | Structure of the TBL1 tetramerisation domain | | Descriptor: | F-BOX-LIKE/WD REPEAT-CONTAINING PROTEIN TBL1X | | Authors: | Oberoi, J, Fairall, L, Watson, P.J, Greenwood, J.A, Schwabe, J.W.R. | | Deposit date: | 2010-10-06 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural Basis for the Assembly of the Smrt/Ncor Core Transcriptional Repression Machinery.
Nat.Struct.Mol.Biol., 18, 2011
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