4XUL
 
 | | Crystal structure of M. chilensis Mg662 protein complexed with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Lartigue, A, Priet, S, Claverie, J.M, Abergel, C. | | Deposit date: | 2015-01-26 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of M. chilensis Mg662 protein complexed with GTP
To Be Published
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4XUZ
 | | Structure of CTX-M-15 bound to RPX-7009 at 1.5 A | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Clifton, M.C, Gardberg, A. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
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4XV3
 | | B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 | | Descriptor: | N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | | Authors: | Zhang, Y, Zhang, C. | | Deposit date: | 2015-01-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
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7W4A
 | | Cryo-EM structure of the gastric proton pump complexed with revaprazan | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | | Deposit date: | 2021-11-26 | | Release date: | 2022-03-02 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
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4Y2U
 | | Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate | | Descriptor: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate | | Authors: | Amano, Y, Yamaguchi, T. | | Deposit date: | 2015-02-10 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
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5C4O
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5C4T
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4XUX
 | | Structure of ampC bound to RPX-7009 at 1.75 A | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ... | | Authors: | Clifton, M.C, Abendroth, J. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
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7WAA
 | | Crystal structure of MCR-1-S treated by AgNO3 | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, SILVER ION | | Authors: | Zhang, Q, Wang, M, Sun, H. | | Deposit date: | 2021-12-13 | | Release date: | 2022-03-16 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Re-sensitization of mcr carrying multidrug resistant bacteria to colistin by silver.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5BZX
 | | Crystal structure of human phosphatase PTEN treated with a bisperoxovanadium complex | | Descriptor: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, VANADATE ION | | Authors: | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | | Deposit date: | 2015-06-11 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2MH5
 | | Structure and NMR assignments of lantibiotic NAI-107 in DPC micelles | | Descriptor: | Lantibiotic 107891, dodecyl 2-(trimethylammonio)ethyl phosphate | | Authors: | Munch, D, Muller, A, Schneider, T, Kohl, B, Wenzel, M, Bandow, J, Maffioli, S, Sosio, M, Donadio, S, Wimmer, R, Sahl, H. | | Deposit date: | 2013-11-18 | | Release date: | 2014-03-05 | | Last modified: | 2024-07-10 | | Method: | SOLUTION NMR | | Cite: | The Lantibiotic NAI-107 Binds to Bactoprenol-bound Cell Wall Precursors and Impairs Membrane Functions.
J.Biol.Chem., 289, 2014
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2LZ5
 | | Solution structure of a Novel Alpha-Conotoxin TxIB | | Descriptor: | Conotoxin_TxIB | | Authors: | Luo, S, Zhangsun, D, Wu, Y, Zhu, X, Hu, Y, McIntyre, M, Christensen, S, Akcan, M, Craik, D, McIntosh, J. | | Deposit date: | 2012-09-23 | | Release date: | 2012-12-05 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Characterization of a novel alpha-conotoxin from conus textile that selectively targets alpha6/alpha3beta2beta3 nicotinic acetylcholine receptors.
J.Biol.Chem., 288, 2013
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4XV9
 | | B-Raf Kinase domain in complex with PLX5568 | | Descriptor: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf | | Authors: | zhang, Y, zhang, c, wang, w. | | Deposit date: | 2015-01-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
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4Y2J
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4Y0H
 | | Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) | | Descriptor: | 4-aminobutyrate aminotransferase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L. | | Deposit date: | 2015-02-06 | | Release date: | 2015-03-11 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
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4Y2P
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3WWV
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5C1T
 | | Crystal structure of the GTP-bound wild type EhRabX3 from Entamoeba histolytica | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Small GTPase EhRabX3 | | Authors: | Srivastava, V.K, Chandra, M, Datta, S. | | Deposit date: | 2015-06-15 | | Release date: | 2016-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Crystal Structure Analysis of Wild Type and Fast Hydrolyzing Mutant of EhRabX3, a Tandem Ras Superfamily GTPase from Entamoeba histolytica.
J.Mol.Biol., 428, 2016
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2M7P
 | | RXFP1 utilises hydrophobic moieties on a signalling surface of the LDLa module to mediate receptor activation | | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor, Relaxin receptor 1 | | Authors: | Kong, R.CK, Petrie, E.J, Mohanty, B, Ling, J, Lee, J.C.Y, Gooley, P.R, Bathgate, R.A.D. | | Deposit date: | 2013-04-29 | | Release date: | 2013-08-14 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The relaxin receptor (RXFP1) utilizes hydrophobic moieties on a signaling surface of its N-terminal low density lipoprotein class A module to mediate receptor activation.
J.Biol.Chem., 288, 2013
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4XWH
 | | Crystal structure of the human N-acetyl-alpha-glucosaminidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylglucosaminidase, ... | | Authors: | Birrane, G, Meiyappan, M, Dassier, A. | | Deposit date: | 2015-01-28 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural characterization of the alpha-N-acetylglucosaminidase, a key enzyme in the pathogenesis of Sanfilippo syndrome B.
J.Struct.Biol., 205, 2019
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4Y0F
 | | Crystal Structure of Human TDP-43 RRM1 Domain in Complex with an Unmodified Single-stranded DNA | | Descriptor: | DNA (5'-D(*GP*TP*TP*GP*AP*GP*CP*GP*TP*T)-3'), TAR DNA-binding protein 43 | | Authors: | Chiang, C.H, Kuo, P.H, Doudeva, L.G, Wang, Y.T, Yuan, H.S. | | Deposit date: | 2015-02-06 | | Release date: | 2016-02-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.648 Å) | | Cite: | Structural analysis of disease-related TDP-43 D169G mutation: linking enhanced stability and caspase cleavage efficiency to protein accumulation
Sci Rep, 6, 2016
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4Y0O
 | | Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii. | | Descriptor: | Beta-lactamase | | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | | Deposit date: | 2015-02-06 | | Release date: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
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4Y0U
 | | Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii. | | Descriptor: | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | | Deposit date: | 2015-02-06 | | Release date: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
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4Y2B
 | | Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A | | Descriptor: | 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | | Authors: | Endo, Y, Kawai, K, Asano, T, Amano, S, Asanuma, Y, Sawada, K, Onodera, Y, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Irie, T. | | Deposit date: | 2015-02-09 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy
Bioorg.Med.Chem.Lett., 25, 2015
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5C0N
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