4UAA
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7MYY
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![BU of 7myy by Molmil](/molmil-images/mine/7myy) | Crystal Structure of HIV-1 PRS17 with GRL-142 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Agniswamy, J, Weber, I.T. | Deposit date: | 2021-05-22 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR S17 . Biochem.Biophys.Res.Commun., 566, 2021
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4UEI
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![BU of 4uei by Molmil](/molmil-images/mine/4uei) | Solution structure of the sterol carrier protein domain 2 of Helicoverpa armigera | Descriptor: | STEROL CARRIER PROTEIN 2/3-OXOACYL-COA THIOLASE | Authors: | Liu, X, Ma, H, Yan, X, Hong, H, Peng, J, Peng, R. | Deposit date: | 2014-12-18 | Release date: | 2015-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure and Function of Helicoverpa Armigera Sterol Carrier Protein-2, an Important Insecticidal Target from the Cotton Bollworm. Sci.Rep., 5, 2015
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7MYP
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![BU of 7myp by Molmil](/molmil-images/mine/7myp) | Crystal Structure of HIV-1 PRS17 with GRL-44-10A | Descriptor: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Agniswamy, J, Weber, I.T. | Deposit date: | 2021-05-21 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR S17 . Biochem.Biophys.Res.Commun., 566, 2021
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4UF9
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![BU of 4uf9 by Molmil](/molmil-images/mine/4uf9) | Electron cryo-microscopy structure of PB1-p62 type T filaments | Descriptor: | SEQUESTOSOME-1 | Authors: | Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C. | Deposit date: | 2015-03-15 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10.3 Å) | Cite: | The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold. Cell Rep., 11, 2015
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4TX9
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![BU of 4tx9 by Molmil](/molmil-images/mine/4tx9) | Crystal structure of HisAp from Streptomyces sviceus with degraded ProFAR | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Phosphoribosyl isomerase A, SULFATE ION | Authors: | Michalska, K, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-07-02 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop. Biochem. J., 473, 2016
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7N0Z
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4TXP
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![BU of 4txp by Molmil](/molmil-images/mine/4txp) | Crystal structure of LIP5 N-terminal domain | Descriptor: | Vacuolar protein sorting-associated protein VTA1 homolog | Authors: | Vild, C.J, Xu, Z. | Deposit date: | 2014-07-04 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5. J.Biol.Chem., 290, 2015
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4TXS
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![BU of 4txs by Molmil](/molmil-images/mine/4txs) | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | Descriptor: | (4-hydroxyphenyl)acetonitrile, Polyprotein | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | Deposit date: | 2014-07-07 | Release date: | 2015-05-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline Sci Rep, 5, 2015
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4TYG
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![BU of 4tyg by Molmil](/molmil-images/mine/4tyg) | Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | Descriptor: | ACETATE ION, Fibroblast growth factor receptor 4 | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | Deposit date: | 2014-07-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
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4TYQ
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![BU of 4tyq by Molmil](/molmil-images/mine/4tyq) | Crystal structure of an adenylate kinase mutant--AKm2 | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CALCIUM ION, ... | Authors: | Moon, S, Bae, E. | Deposit date: | 2014-07-09 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of thermally stable adenylate kinase mutants designed by local structural entropy optimization and structure-guided mutagenesis J KOREAN SOC APPL BIOL CHEM, 57, 2014
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7NLD
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![BU of 7nld by Molmil](/molmil-images/mine/7nld) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide, Programmed cell death 1 ligand 1 | Authors: | Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A. | Deposit date: | 2021-02-22 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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1NV5
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![BU of 1nv5 by Molmil](/molmil-images/mine/1nv5) | Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate, EDTA and Thallium (5 mM) | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ... | Authors: | Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2003-02-02 | Release date: | 2003-07-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase J.BIOL.CHEM., 278, 2003
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4U86
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![BU of 4u86 by Molmil](/molmil-images/mine/4u86) | Human Pin1 with cysteine sulfonic acid 113 | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Li, W, Zhang, Y. | Deposit date: | 2014-08-01 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4U8G
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![BU of 4u8g by Molmil](/molmil-images/mine/4u8g) | Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus agalactiae | Descriptor: | Putative uncharacterized protein gbs1891 | Authors: | Maruyama, Y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-03 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE. J.Biol.Chem., 290, 2015
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4U3E
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![BU of 4u3e by Molmil](/molmil-images/mine/4u3e) | Anaerobic ribonucleotide reductase | Descriptor: | ACETATE ION, CITRIC ACID, GLYCEROL, ... | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2014-07-20 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The class III ribonucleotide reductase from Neisseria bacilliformis can utilize thioredoxin as a reductant. Proc.Natl.Acad.Sci.USA, 111, 2014
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4U8Z
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![BU of 4u8z by Molmil](/molmil-images/mine/4u8z) | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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7N19
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4UDY
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![BU of 4udy by Molmil](/molmil-images/mine/4udy) | NCO- bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution | Descriptor: | CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Fesseler, J, Jeoung, J.-H, Dobbek, H. | Deposit date: | 2014-12-12 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | How the [Nife4 S4 ] Cluster of Co Dehydrogenase Activates Co2 and Nco(.) Angew.Chem.Int.Ed.Engl., 54, 2015
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4UAN
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4UB7
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![BU of 4ub7 by Molmil](/molmil-images/mine/4ub7) | High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond | Descriptor: | 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. | Deposit date: | 2014-08-12 | Release date: | 2015-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures. Acs Chem.Biol., 10, 2015
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4UBK
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![BU of 4ubk by Molmil](/molmil-images/mine/4ubk) | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 7.40 MGy at 100K | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | Deposit date: | 2014-08-13 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography Structure, 24, 2016
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4TVA
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![BU of 4tva by Molmil](/molmil-images/mine/4tva) | Universal Pathway for Post-Transfer Editing Reactions: Insight from Crystal structure of TthPheRS with Puromycine | Descriptor: | PHENYLALANINE, PUROMYCIN, Phenylalanine--tRNA ligase alpha subunit, ... | Authors: | Safro, M, Klipcan, L, Tworowski, D, Peretz, M. | Deposit date: | 2014-06-26 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Universal pathway for posttransfer editing reactions: Insights from the crystal structure of TtPheRS with puromycin. Proc.Natl.Acad.Sci.USA, 112, 2015
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4TWR
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![BU of 4twr by Molmil](/molmil-images/mine/4twr) | Structure of UDP-glucose 4-epimerase from Brucella abortus | Descriptor: | NAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Horanyi, P.S, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-07-01 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of UDP-glucose 4-epimerase from Brucella melitensis To Be Published
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4TX6
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![BU of 4tx6 by Molmil](/molmil-images/mine/4tx6) | AfChiA1 in complex with compound 1 | Descriptor: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION | Authors: | van Aalten, D.M.F. | Deposit date: | 2014-07-02 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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