5MME
 
 | | Crystal structure of CREBBP bromodomain complexd with US46C | | Descriptor: | CREB-binding protein, dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2016-12-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5MNZ
 | | Neutron structure of cationic trypsin in its apo form | | Descriptor: | CALCIUM ION, Cationic trypsin | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.45 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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5MOS
 | | Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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1PW5
 | | putative nagD protein | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, SULFATE ION, nagD protein, ... | | Authors: | Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-06-30 | | Release date: | 2004-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | putative nagD protein
To be Published
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4AOC
 | | crystal structure of BC2L-A Lectin from Burkolderia cenocepacia in complex with methyl-heptoside | | Descriptor: | BC2L-A LECTIN, CALCIUM ION, SULFATE ION, ... | | Authors: | Marchetti, R, Malinovska, L, Lameignere, E, deCastro, C, Cioci, G, Kosma, P, Wimmerova, M, Molinaro, A, Imberty, A, Silipo, A. | | Deposit date: | 2012-03-26 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Burkholderia Cenocepacia Lectin a Binding to Heptoses from the Bacterial Lipopolysaccharide.
Glycobiology, 22, 2012
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1Z4R
 | | Human GCN5 Acetyltransferase | | Descriptor: | ACETYL COENZYME *A, General control of amino acid synthesis protein 5-like 2 | | Authors: | Dong, A, Bernstein, G, Schuetz, A, Antoshenko, T, Wu, H, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Plotnikov, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-03-16 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of a binary complex between human GCN5 histone acetyltransferase domain and acetyl coenzyme A
Proteins, 68, 2007
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6GMP
 | | CRYSTAL STRUCTURE OF THE PPIASE DOMAIN OF TBPAR42 | | Descriptor: | PARVULIN 42 | | Authors: | Hoenig, D, Rute, A, Hofmann, E, Bayer, P, Gasper, R. | | Deposit date: | 2018-05-28 | | Release date: | 2019-03-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Analysis of the 42 kDa Parvulin ofTrypanosoma brucei.
Biomolecules, 9, 2019
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6YAA
 | | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | | Descriptor: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | | Authors: | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | | Deposit date: | 2020-03-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
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6Z2J
 | | The structure of the dimeric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex | | Descriptor: | Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-05-16 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure.
Nat Commun, 11, 2020
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2WYF
 | | Crystal structure of PA-IL lectin complexed with aGal12bGal-O-Met at 2.4 A resolution | | Descriptor: | CALCIUM ION, PA-I GALACTOPHILIC LECTIN, alpha-D-galactopyranose, ... | | Authors: | Nurisso, A, Blanchard, B, Varrot, A, Imberty, A. | | Deposit date: | 2009-11-16 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Role of Water Molecules in Structure and Energetics of Pseudomonas Aeruginosa Lectin I Interacting with Disaccharides.
J.Biol.Chem., 285, 2010
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6H2Z
 | | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | | Descriptor: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | Deposit date: | 2018-07-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6H33
 | | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide. | | Descriptor: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | Deposit date: | 2018-07-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6Z45
 | | CDK9-Cyclin-T1 complex bound by compound 24 | | Descriptor: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-05-22 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
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6YUL
 | | CK2 alpha bound to Macrocycle | | Descriptor: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Hanke, T, Kurz, C, Celik, I, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-27 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor.
Eur.J.Med.Chem., 208, 2020
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6YWS
 | | The structure of the large subunit of the mitoribosome from Neurospora crassa | | Descriptor: | 50S ribosomal protein L14, 50S ribosomal protein L17, 50S ribosomal protein L24, ... | | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | | Deposit date: | 2020-04-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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5N47
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6GF1
 | | The structure of the ubiquitin-like modifier FAT10 reveals a novel targeting mechanism for degradation by the 26S proteasome | | Descriptor: | SULFATE ION, Ubiquitin D | | Authors: | Aichem, A, Anders, S, Catone, N, Roessler, P, Stotz, S, Berg, A, Schwab, R, Scheuermann, S, Bialas, J, Schmidtke, G, Peter, C, Groettrup, M, Wiesner, S. | | Deposit date: | 2018-04-28 | | Release date: | 2018-08-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation.
Nat Commun, 9, 2018
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6GHG
 | | Variable heavy - variable light domain and Fab-arm CrossMabs with charged residue exchanges | | Descriptor: | Fab heavy chain, Fab light chain, HEXAETHYLENE GLYCOL, ... | | Authors: | Regula, J, Imhof-Jung, S, Molhoj, M, Benz, J, Ehler, A, Bujotzek, A, Schaefer, W, Klein, C. | | Deposit date: | 2018-05-07 | | Release date: | 2018-09-12 | | Last modified: | 2018-12-05 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Variable heavy-variable light domain and Fab-arm CrossMabs with charged residue exchanges to enforce correct light chain assembly.
Protein Eng. Des. Sel., 31, 2018
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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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5ND7
 | | Microtubule-bound MKLP2 motor domain in the presence of AMPPNP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Atherton, J, Yu, I.-M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. | | Deposit date: | 2017-03-07 | | Release date: | 2017-10-04 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
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6VMZ
 | | Crystal Structure of a H5N1 influenza virus hemagglutinin with CBS1117 | | Descriptor: | 2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | | Deposit date: | 2020-01-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of avian influenza hemagglutinin in complex with a small molecule entry inhibitor.
Life Sci Alliance, 3, 2020
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6Z54
 | | Crystal structure of CLK3 in complex with macrocycle ODS2003178 | | Descriptor: | 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003178
To Be Published
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6Z57
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078
To Be Published
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7T6X
 | | Cryo-EM structure of full-length hepatitis C virus E1E2 glycoprotein in complex with AR4A, AT12009, and IGH505 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AR4A Fab, ... | | Authors: | Torrents de la Pena, A, Ward, A.B, Eshun-Wilson, L, Lander, G.C. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (3.83 Å) | | Cite: | Structure of the hepatitis C virus E1E2 glycoprotein complex.
Science, 378, 2022
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7T9I
 | | Native human TSH bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain, ... | | Authors: | Faust, B, Cheng, Y, Manglik, A. | | Deposit date: | 2021-12-19 | | Release date: | 2022-08-03 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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