6CQQ
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![BU of 6cqq by Molmil](/molmil-images/mine/6cqq) | Crystal structure of F24 TCR -DR15-RQ13 peptide complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, F24 alpha chain, ... | Authors: | Farenc, C, Gras, S, Rossjohn, J. | Deposit date: | 2018-03-16 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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6CQJ
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![BU of 6cqj by Molmil](/molmil-images/mine/6cqj) | Crystal structure of DR1 presenting the RQ13 peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Farenc, C, Gras, S, Rossjohn, J. | Deposit date: | 2018-03-15 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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3S26
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![BU of 3s26 by Molmil](/molmil-images/mine/3s26) | Crystal Structure of Murine Siderocalin (Lipocalin 2, 24p3) | Descriptor: | Neutrophil gelatinase-associated lipocalin, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Correnti, C, Bandaranayake, A.D, Strong, R.K. | Deposit date: | 2011-05-16 | Release date: | 2011-09-28 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Daedalus: a robust, turnkey platform for rapid production of decigram quantities of active recombinant proteins in human cell lines using novel lentiviral vectors. Nucleic Acids Res., 39, 2011
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6H62
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![BU of 6h62 by Molmil](/molmil-images/mine/6h62) | QTRT1, the catalytic subunit of murine tRNA-Guanine Transglycosylase | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase catalytic subunit 1, ZINC ION | Authors: | Behrens, C, Heine, A, Reuter, K. | Deposit date: | 2018-07-26 | Release date: | 2019-08-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.684 Å) | Cite: | Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase. Acs Chem.Biol., 17, 2022
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3K7Y
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![BU of 3k7y by Molmil](/molmil-images/mine/3k7y) | Aspartate Aminotransferase of Plasmodium falciparum | Descriptor: | ACETATE ION, Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Groves, M.R, Jordanova, R, Jain, R, Wrenger, C, Muller, I.B. | Deposit date: | 2009-10-13 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Specific Inhibition of the Aspartate Aminotransferase of Plasmodium falciparum. J.Mol.Biol., 405, 2011
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4K19
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![BU of 4k19 by Molmil](/molmil-images/mine/4k19) | The structure of Human Siderocalin bound to the bacterial siderophore fluvibactin | Descriptor: | (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, CHLORIDE ION, FE (III) ION, ... | Authors: | Correnti, C, Clifton, M.C, Strong, R.K. | Deposit date: | 2013-04-04 | Release date: | 2013-07-31 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Siderocalin Outwits the Coordination Chemistry of Vibriobactin, a Siderophore of Vibrio cholerae. Acs Chem.Biol., 8, 2013
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7JWJ
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![BU of 7jwj by Molmil](/molmil-images/mine/7jwj) | Crystal Structure of B17-C1 TCR-H2Db | Descriptor: | B17.C1 TCR alpha chain, B17.C1 TCR beta chain, Beta-2-microglobulin, ... | Authors: | Farenc, C, Rossjohn, J, Gras, S, Szeto, C. | Deposit date: | 2020-08-25 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.251 Å) | Cite: | Canonical T cell receptor docking on peptide-MHC is essential for T cell signaling. Science, 372, 2021
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7JWI
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![BU of 7jwi by Molmil](/molmil-images/mine/7jwi) | |
6BNH
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![BU of 6bnh by Molmil](/molmil-images/mine/6bnh) | Solution NMR structures of BRD4 ET domain with JMJD6 peptide | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4 | Authors: | Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L. | Deposit date: | 2017-11-16 | Release date: | 2017-12-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4. Sci Rep, 7, 2017
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3ZQH
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![BU of 3zqh by Molmil](/molmil-images/mine/3zqh) | Structure of Tetracycline repressor in complex with inducer peptide- TIP3 | Descriptor: | 1,2-ETHANEDIOL, INDUCER PEPTIDE TIP3, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, ... | Authors: | Sevvana, M, Goeke, D, Stoeckle, C, Kaspar, D, Grubmueller, S, Goetz, C, Wimmer, C, Berens, C, Klotzsche, M, Muller, Y.A, Hillen, W. | Deposit date: | 2011-06-09 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An Exclusive Alpha/Beta Code Directs Allostery in Tetr-Peptide Complexes. J.Mol.Biol., 416, 2012
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3ZQF
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![BU of 3zqf by Molmil](/molmil-images/mine/3zqf) | Structure of Tetracycline repressor in complex with antiinducer peptide-TAP1 | Descriptor: | ANTI-INDUCER PEPTIDE TAP1, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Sevvana, M, Goeke, D, Stoeckle, C, Kaspar, D, Grubmueller, S, Goetz, C, Wimmer, C, Berens, C, Klotzsche, M, Muller, Y.A, Hillen, W. | Deposit date: | 2011-06-09 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | An Exclusive Alpha/Beta Code Directs Allostery in Tetr-Peptide Complexes. J.Mol.Biol., 416, 2012
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7T2B
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![BU of 7t2b by Molmil](/molmil-images/mine/7t2b) | Crystal structure of the 5F TCR in complex with HLA-DP4-Ply | 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: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2021-12-03 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity. Immunity, 56, 2023
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7T2A
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![BU of 7t2a by Molmil](/molmil-images/mine/7t2a) | Crystal structure of HLA-DP4 in complex with Ply | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ... | Authors: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2021-12-03 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity. Immunity, 56, 2023
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7T2D
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![BU of 7t2d by Molmil](/molmil-images/mine/7t2d) | Crystal structure of the B1 TCR in complex with HLA-DP4-Ply | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ... | Authors: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2021-12-03 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity. Immunity, 56, 2023
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7T2C
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![BU of 7t2c by Molmil](/molmil-images/mine/7t2c) | Crystal structure of the B5 TCR in complex with HLA-DP4-Ply | 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: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2021-12-03 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity. Immunity, 56, 2023
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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1JSY
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![BU of 1jsy by Molmil](/molmil-images/mine/1jsy) | Crystal structure of bovine arrestin-2 | Descriptor: | Bovine arrestin-2 (full length) | Authors: | Milano, S.K, Pace, H.C, Kim, Y.M, Brenner, C, Benovic, J.L. | Deposit date: | 2001-08-19 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Scaffolding functions of arrestin-2 revealed by crystal structure and mutagenesis. Biochemistry, 41, 2002
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4RGA
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![BU of 4rga by Molmil](/molmil-images/mine/4rga) | Phage 1358 receptor binding protein in complex with the trisaccharide GlcNAc-Galf-GlcOMe | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-galactofuranose-(1-6)-methyl alpha-D-glucopyranoside, Phage 1358 receptor binding protein (ORF20) | Authors: | Spinelli, S, Mccabe, O, Farenc, C, Tremblay, D, Blangy, S, Oscarson, S, Moineau, S, Cambillau, C. | Deposit date: | 2014-09-29 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The targeted recognition of Lactococcus lactis phages to their polysaccharide receptors. Mol.Microbiol., 96, 2015
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5FTO
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![BU of 5fto by Molmil](/molmil-images/mine/5fto) | Crystal structure of the ALK kinase domain in complex with Entrectinib | Descriptor: | ALK TYROSINE KINASE RECEPTOR, Entrectinib | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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5FTQ
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![BU of 5ftq by Molmil](/molmil-images/mine/5ftq) | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | Descriptor: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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6YAA
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![BU of 6yaa by Molmil](/molmil-images/mine/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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1EMS
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![BU of 1ems by Molmil](/molmil-images/mine/1ems) | CRYSTAL STRUCTURE OF THE C. ELEGANS NITFHIT PROTEIN | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ETHYL MERCURY ION, NIT-FRAGILE HISTIDINE TRIAD FUSION PROTEIN, ... | Authors: | Pace, H.C, Hodawadekar, S.C, Draganescu, A, Huang, J, Bieganowski, P, Pekarsky, Y, Croce, C.M, Brenner, C. | Deposit date: | 2000-03-17 | Release date: | 2000-07-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the worm NitFhit Rosetta Stone protein reveals a Nit tetramer binding two Fhit dimers. Curr.Biol., 10, 2000
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6FSE
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![BU of 6fse by Molmil](/molmil-images/mine/6fse) | Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15) | Descriptor: | 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone, 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ... | Authors: | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | Deposit date: | 2018-02-19 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J.Med.Chem., 61, 2018
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1E64
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![BU of 1e64 by Molmil](/molmil-images/mine/1e64) | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH LYS 75 REPLACED BY GLN (K75Q) | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2000-08-07 | Release date: | 2001-05-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners. Proteins, 59, 2005
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1E62
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![BU of 1e62 by Molmil](/molmil-images/mine/1e62) | Ferredoxin:NADP+ reductase mutant with Lys 75 replaced by Arg (K75R) | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2000-08-07 | Release date: | 2001-05-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners. Proteins, 59, 2005
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