2K4F
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![BU of 2k4f by Molmil](/molmil-images/mine/2k4f) | Mouse CD3epsilon Cytoplasmic Tail | Descriptor: | T-cell surface glycoprotein CD3 epsilon chain | Authors: | Xu, C, Call, M.E, Schwieters, C.D, Schnell, J.R, Gagnon, E.E, Wucherpfennig, K.W, Chou, J.J. | Deposit date: | 2008-06-07 | Release date: | 2008-12-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Regulation of T Cell Receptor Activation by Dynamic Membrane Binding of the CD3varepsilon Cytoplasmic Tyrosine-Based Motif. Cell(Cambridge,Mass.), 135, 2008
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8DWR
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![BU of 8dwr by Molmil](/molmil-images/mine/8dwr) | Crystal structure of the L333V variant of catalase-peroxidase from Mycobacterium tuberculosis | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Diaz-Vilchis, A, Uribe-Vazquez, B, Avila-Linares, A, Rudino-Pinera, E, Soberon, X. | Deposit date: | 2022-08-01 | Release date: | 2023-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of a catalase-peroxidase variant (L333V-KatG) identified in an INH-resistant Mycobacterium tuberculosis clinical isolate. Biochem Biophys Rep, 37, 2024
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4QQN
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![BU of 4qqn by Molmil](/molmil-images/mine/4qqn) | Protein arginine methyltransferase 3 in complex with compound MTV044246 | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). J. Med. Chem., 61, 2018
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4NHF
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2W72
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![BU of 2w72 by Molmil](/molmil-images/mine/2w72) | DEOXYGENATED STRUCTURE OF A DISTAL SITE HEMOGLOBIN MUTANT PLUS XE | Descriptor: | HUMAN HEMOGLOBIN A, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Miele, A.E, Draghi, F, Sciara, G, Johnson, K.A, Renzi, F, Vallone, B, Brunori, M, Savino, C. | Deposit date: | 2008-12-19 | Release date: | 2009-04-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009
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6I4G
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![BU of 6i4g by Molmil](/molmil-images/mine/6i4g) | Crystal Structure of Plasmodium falciparum actin I (H74Q) in the Mg-K-ATP state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-1, BETA-MERCAPTOETHANOL, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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2JWA
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4R4M
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![BU of 4r4m by Molmil](/molmil-images/mine/4r4m) | Crystal structure of C42L cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper | Descriptor: | SULFATE ION, cGMP-dependent protein kinase 1 | Authors: | Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C. | Deposit date: | 2014-08-19 | Release date: | 2015-09-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability. Biochemistry, 54, 2015
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6ENA
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![BU of 6ena by Molmil](/molmil-images/mine/6ena) | Nemertide alpha-1 | Descriptor: | Nemertide alpha-1 | Authors: | Jacobsson, E, Rosengren, K.J, Goransson, U. | Deposit date: | 2017-10-04 | Release date: | 2018-03-14 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Lineus longissimus, the longest animal on earth, expresses peptide toxins targeting voltage gated sodium channels Sci Rep, 2018
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6EA7
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![BU of 6ea7 by Molmil](/molmil-images/mine/6ea7) | Structure of EBOV GPcl in complex with the pan-ebolavirus mAb ADI-15878 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | West, B.R, Moyer, C.L, King, L.B, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O. | Deposit date: | 2018-08-02 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope. MBio, 9, 2018
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6I4M
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![BU of 6i4m by Molmil](/molmil-images/mine/6i4m) | Crystal Structure of Plasmodium berghei actin II in the Mg-ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-2, CALCIUM ION, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6WCV
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![BU of 6wcv by Molmil](/molmil-images/mine/6wcv) | Tartryl-CoA bound to human GTP-specific succinyl-CoA synthetase | Descriptor: | (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name), Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2020-03-31 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Tartryl-CoA inhibits succinyl-CoA synthetase Acta Crystallogr.,Sect.F, 76, 2020
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6WFN
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![BU of 6wfn by Molmil](/molmil-images/mine/6wfn) | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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6EEA
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![BU of 6eea by Molmil](/molmil-images/mine/6eea) | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | Deposit date: | 2018-08-13 | Release date: | 2018-11-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles. J. Med. Chem., 61, 2018
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5A62
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![BU of 5a62 by Molmil](/molmil-images/mine/5a62) | Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function | Descriptor: | ACETATE ION, PUTATIVE ALPHA/BETA HYDROLASE FOLD PROTEIN | Authors: | Chow, J, Kaljunen, H, Nittinger, E, Spieck, E, Rarey, M, Mueller-Dieckmann, J, Streit, W.R. | Deposit date: | 2015-06-24 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrolytic Potential of the Ammonia-Oxidizing Thaumarchaeon Nitrososphaera Gargenis - Crystal Structure and Activity Profiles of Carboxylesterases Linked to Their Metabolic Function To be Published
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3V6B
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![BU of 3v6b by Molmil](/molmil-images/mine/3v6b) | VEGFR-2/VEGF-E complex structure | Descriptor: | VEGF-E, Vascular endothelial growth factor receptor 2 | Authors: | Brozzo, M.S, Leppanen, V.-M, Winkler, F.K, Kisko, K, Ballmer-Hofer, K. | Deposit date: | 2011-12-19 | Release date: | 2012-01-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.205 Å) | Cite: | Thermodynamic and structural description of allosterically regulated VEGFR-2 dimerization. Blood, 119, 2012
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7KIR
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![BU of 7kir by Molmil](/molmil-images/mine/7kir) | Crystal structure of inositol polyphosphate 1-phosphatase (INPP1) D54A mutant in complex with inositol (1,4)-bisphosphate | Descriptor: | CALCIUM ION, D-MYO-INOSITOL-1,4-BISPHOSPHATE, Inositol polyphosphate 1-phosphatase | Authors: | Dollins, D.E, Xiong, J.-P, Ren, Y, York, J.D. | Deposit date: | 2020-10-24 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A structural basis for lithium and substrate binding of an inositide phosphatase. J.Biol.Chem., 296, 2020
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6I4L
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![BU of 6i4l by Molmil](/molmil-images/mine/6i4l) | Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Mg-K-ATP/ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I4J
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![BU of 6i4j by Molmil](/molmil-images/mine/6i4j) | Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-ADP state | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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6I64
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3DFY
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![BU of 3dfy by Molmil](/molmil-images/mine/3dfy) | Crystal structure of apo dipeptide epimerase from Thermotoga maritima | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-12 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening. Structure, 16, 2008
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3U7U
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![BU of 3u7u by Molmil](/molmil-images/mine/3u7u) | Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuregulin 1, Receptor tyrosine-protein kinase erbB-4 | Authors: | Liu, P, Cleveland IV, T.E, Bouyain, S, Longo, P.A, Leahy, D.J. | Deposit date: | 2011-10-14 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | A single ligand is sufficient to activate EGFR dimers. Proc.Natl.Acad.Sci.USA, 109, 2012
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6I7S
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![BU of 6i7s by Molmil](/molmil-images/mine/6i7s) | Microsomal triglyceride transfer protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Biterova, E, Isupov, M.N, Keegan, R.M, Lebedev, A.A, Ruddock, L.W. | Deposit date: | 2018-11-17 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of human microsomal triglyceride transfer protein. Proc.Natl.Acad.Sci.USA, 116, 2019
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7KIO
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![BU of 7kio by Molmil](/molmil-images/mine/7kio) | Crystal structure of inositol polyphosphate 1-phosphatase (INPP1) D54A mutant | Descriptor: | CALCIUM ION, Inositol polyphosphate 1-phosphatase, SULFATE ION | Authors: | Xiong, J.-P, Dollins, D.E, Ren, Y, York, J.D. | Deposit date: | 2020-10-24 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A structural basis for lithium and substrate binding of an inositide phosphatase. J.Biol.Chem., 296, 2020
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6I3B
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![BU of 6i3b by Molmil](/molmil-images/mine/6i3b) | |