3DD0
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![BU of 3dd0 by Molmil](/molmil-images/mine/3dd0) | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2008-06-04 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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2YEJ
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![BU of 2yej by Molmil](/molmil-images/mine/2yej) | HSP90 inhibitors and drugs from fragment and virtual screening | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ... | Authors: | Roughley, S.D, Hubbard, R.E, Baker, L.M. | Deposit date: | 2011-03-25 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
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6HVF
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![BU of 6hvf by Molmil](/molmil-images/mine/6hvf) | Kinase domain of cSrc in complex with compound 29B | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | Authors: | Keul, M, Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-10 | Release date: | 2019-10-23 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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8BVS
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![BU of 8bvs by Molmil](/molmil-images/mine/8bvs) | Cryo-EM structure of rat SLC22A6 bound to tenofovir | Descriptor: | CHLORIDE ION, Solute carrier family 22 member 6, Synthetic nanobody (Sybody), ... | Authors: | Parker, J.L, Kato, T, Newstead, S. | Deposit date: | 2022-12-05 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | Molecular basis for selective uptake and elimination of organic anions in the kidney by OAT1. Nat.Struct.Mol.Biol., 30, 2023
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3E4H
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![BU of 3e4h by Molmil](/molmil-images/mine/3e4h) | Crystal structure of the cyclotide varv F | Descriptor: | Varv peptide F,Varv peptide F | Authors: | Hu, S.H. | Deposit date: | 2008-08-11 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Combined X-ray and NMR Analysis of the Stability of the Cyclotide Cystine Knot Fold That Underpins Its Insecticidal Activity and Potential Use as a Drug Scaffold J.Biol.Chem., 284, 2009
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8BVR
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![BU of 8bvr by Molmil](/molmil-images/mine/8bvr) | Cryo-EM structure of rat SLC22A6 in the apo state | Descriptor: | PHOSPHATE ION, Solute carrier family 22 member 6, Synthetic nanobody (Sybody) | Authors: | Parker, J.L, Kato, T, Newstead, S. | Deposit date: | 2022-12-05 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Molecular basis for selective uptake and elimination of organic anions in the kidney by OAT1. Nat.Struct.Mol.Biol., 30, 2023
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8BVT
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![BU of 8bvt by Molmil](/molmil-images/mine/8bvt) | Cryo-EM structure of rat SLC22A6 bound to probenecid | Descriptor: | 4-(dipropylsulfamoyl)benzoic acid, Solute carrier family 22 member 6, Synthetic nanobody (Sybody) | Authors: | Parker, J.L, Kato, T, Newstead, S. | Deposit date: | 2022-12-06 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Molecular basis for selective uptake and elimination of organic anions in the kidney by OAT1. Nat.Struct.Mol.Biol., 30, 2023
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8BW7
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![BU of 8bw7 by Molmil](/molmil-images/mine/8bw7) | Cryo-EM structure of rat SLC22A6 bound to alpha-ketoglutaric acid | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, Solute carrier family 22 member 6, ... | Authors: | Parker, J.L, Kato, T, Newstead, S. | Deposit date: | 2022-12-06 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Molecular basis for selective uptake and elimination of organic anions in the kidney by OAT1. Nat.Struct.Mol.Biol., 30, 2023
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3QZS
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![BU of 3qzs by Molmil](/molmil-images/mine/3qzs) | |
2YI7
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![BU of 2yi7 by Molmil](/molmil-images/mine/2yi7) | Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. | Descriptor: | 4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-05-10 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors. Plos One, 7, 2012
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2YJX
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![BU of 2yjx by Molmil](/molmil-images/mine/2yjx) | Tricyclic series of Hsp90 inhibitors | Descriptor: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-24 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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6R36
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![BU of 6r36 by Molmil](/molmil-images/mine/6r36) | T. brucei farnesyl pyrophosphate synthase (FPPS) | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase. Chembiochem, 21, 2020
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2YFE
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![BU of 2yfe by Molmil](/molmil-images/mine/2yfe) | |
8BT9
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![BU of 8bt9 by Molmil](/molmil-images/mine/8bt9) | |
3N45
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![BU of 3n45 by Molmil](/molmil-images/mine/3n45) | Human FPPS complex with FBS_04 and zoledronic acid/MG2+ | Descriptor: | (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-21 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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6I9R
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![BU of 6i9r by Molmil](/molmil-images/mine/6i9r) | Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Modelska, A, Aibara, S, Amunts, A. | Deposit date: | 2018-11-25 | Release date: | 2020-07-08 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth. Cell Rep, 35, 2021
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2B2D
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![BU of 2b2d by Molmil](/molmil-images/mine/2b2d) | RNA stemloop operator from bacteriophage QBETA complexed with an N87S,E89K mutant MS2 capsid | Descriptor: | 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP*AP*AP*GP*AP*CP*AP*GP*CP*AP*U)-3', Coat protein | Authors: | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | Deposit date: | 2005-09-19 | Release date: | 2006-05-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2 Structure, 14, 2006
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3N5H
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![BU of 3n5h by Molmil](/molmil-images/mine/3n5h) | Human fpps complex with NOV_304 | Descriptor: | 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-25 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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6RFT
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![BU of 6rft by Molmil](/molmil-images/mine/6rft) | Crystal structure of Eis2 from Mycobacterium abscessus bound to Acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Uncharacterized N-acetyltransferase D2E36_21790 | Authors: | Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L. | Deposit date: | 2019-04-16 | Release date: | 2019-07-10 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus. Febs J., 286, 2019
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3N6K
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![BU of 3n6k by Molmil](/molmil-images/mine/3n6k) | Human FPPS complex with NOV_823 | Descriptor: | 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-26 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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6RKZ
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![BU of 6rkz by Molmil](/molmil-images/mine/6rkz) | Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O. | Deposit date: | 2019-04-30 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Functional assembly of nitrous oxide reductase provides insights into copper site maturation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6ROR
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![BU of 6ror by Molmil](/molmil-images/mine/6ror) | REP related 18-mer DNA | Descriptor: | REP related 18-mer DNA from C. hominis, STRONTIUM ION | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | Deposit date: | 2019-05-13 | Release date: | 2020-07-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches. Acta Crystallogr D Struct Biol, 76, 2020
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8BWW
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![BU of 8bww by Molmil](/molmil-images/mine/8bww) | |
6ROS
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![BU of 6ros by Molmil](/molmil-images/mine/6ros) | REP related 18-mer DNA | Descriptor: | REP related 18-mer DNA from C. hominis, STRONTIUM ION | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | Deposit date: | 2019-05-13 | Release date: | 2020-07-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches. Acta Crystallogr D Struct Biol, 76, 2020
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6IQ6
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![BU of 6iq6 by Molmil](/molmil-images/mine/6iq6) | Crystal structure of GAPDH | Descriptor: | (2Z)-4-methoxy-4-oxobut-2-enoic acid, Glyceraldehyde-3-phosphate dehydrogenase | Authors: | Park, J.B, Park, H.Y. | Deposit date: | 2018-11-06 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural Study of Monomethyl Fumarate-Bound Human GAPDH. Mol.Cells, 42, 2019
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