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4XUL
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BU of 4xul by Molmil
Crystal structure of M. chilensis Mg662 protein complexed with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
著者Lartigue, A, Priet, S, Claverie, J.M, Abergel, C.
登録日2015-01-26
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of M. chilensis Mg662 protein complexed with GTP
To Be Published
4XUZ
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BU of 4xuz by Molmil
Structure of CTX-M-15 bound to RPX-7009 at 1.5 A
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Clifton, M.C, Gardberg, A.
登録日2015-01-26
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
4XV3
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BU of 4xv3 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7922
分子名称: 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
著者Zhang, Y, Zhang, C.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
7W4A
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BU of 7w4a by Molmil
Cryo-EM structure of the gastric proton pump complexed with revaprazan
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
著者Abe, K, Tanaka, S, Morita, M, Yamagishi, T.
登録日2021-11-26
公開日2022-03-02
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
4Y2U
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BU of 4y2u by Molmil
Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
5C4O
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BU of 5c4o by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者Parthasarathy, G, Soisson, S.
登録日2015-06-18
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5C4T
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BU of 5c4t by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
分子名称: (1S)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者Parthasarathy, G, Soisson, S.
登録日2015-06-18
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
4XUX
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BU of 4xux by Molmil
Structure of ampC bound to RPX-7009 at 1.75 A
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ...
著者Clifton, M.C, Abendroth, J.
登録日2015-01-26
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
7WAA
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BU of 7waa by Molmil
Crystal structure of MCR-1-S treated by AgNO3
分子名称: Probable phosphatidylethanolamine transferase Mcr-1, SILVER ION
著者Zhang, Q, Wang, M, Sun, H.
登録日2021-12-13
公開日2022-03-16
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Re-sensitization of mcr carrying multidrug resistant bacteria to colistin by silver.
Proc.Natl.Acad.Sci.USA, 119, 2022
5BZX
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BU of 5bzx by Molmil
Crystal structure of human phosphatase PTEN treated with a bisperoxovanadium complex
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, VANADATE ION
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-11
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
2MH5
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BU of 2mh5 by Molmil
Structure and NMR assignments of lantibiotic NAI-107 in DPC micelles
分子名称: Lantibiotic 107891, dodecyl 2-(trimethylammonio)ethyl phosphate
著者Munch, D, Muller, A, Schneider, T, Kohl, B, Wenzel, M, Bandow, J, Maffioli, S, Sosio, M, Donadio, S, Wimmer, R, Sahl, H.
登録日2013-11-18
公開日2014-03-05
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献The Lantibiotic NAI-107 Binds to Bactoprenol-bound Cell Wall Precursors and Impairs Membrane Functions.
J.Biol.Chem., 289, 2014
2LZ5
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BU of 2lz5 by Molmil
Solution structure of a Novel Alpha-Conotoxin TxIB
分子名称: Conotoxin_TxIB
著者Luo, S, Zhangsun, D, Wu, Y, Zhu, X, Hu, Y, McIntyre, M, Christensen, S, Akcan, M, Craik, D, McIntosh, J.
登録日2012-09-23
公開日2012-12-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Characterization of a novel alpha-conotoxin from conus textile that selectively targets alpha6/alpha3beta2beta3 nicotinic acetylcholine receptors.
J.Biol.Chem., 288, 2013
4XV9
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BU of 4xv9 by Molmil
B-Raf Kinase domain in complex with PLX5568
分子名称: 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
著者zhang, Y, zhang, c, wang, w.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4Y2J
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BU of 4y2j by Molmil
Structure of soluble epoxide hydrolase in complex with N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y0H
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BU of 4y0h by Molmil
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
分子名称: 4-aminobutyrate aminotransferase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
著者Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L.
登録日2015-02-06
公開日2015-03-11
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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
4Y2P
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BU of 4y2p by Molmil
Structure of soluble epoxide hydrolase in complex with N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
3WWV
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BU of 3wwv by Molmil
C-terminal domain of stomatin operon partner protein 1510-C from Pyrococcus horikoshii
分子名称: SODIUM ION, Stomatin operon partner protein
著者Yokoyama, H, Matsui, I.
登録日2014-06-30
公開日2014-10-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the stomatin operon partner protein from Pyrococcus horikoshii indicates the formation of a multimeric assembly
FEBS Open Bio, 4, 2014
5C1T
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BU of 5c1t by Molmil
Crystal structure of the GTP-bound wild type EhRabX3 from Entamoeba histolytica
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Small GTPase EhRabX3
著者Srivastava, V.K, Chandra, M, Datta, S.
登録日2015-06-15
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献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
2M7P
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BU of 2m7p by Molmil
RXFP1 utilises hydrophobic moieties on a signalling surface of the LDLa module to mediate receptor activation
分子名称: CALCIUM ION, Low-density lipoprotein receptor, Relaxin receptor 1
著者Kong, R.CK, Petrie, E.J, Mohanty, B, Ling, J, Lee, J.C.Y, Gooley, P.R, Bathgate, R.A.D.
登録日2013-04-29
公開日2013-08-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献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
4XWH
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BU of 4xwh by Molmil
Crystal structure of the human N-acetyl-alpha-glucosaminidase
分子名称: 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, ...
著者Birrane, G, Meiyappan, M, Dassier, A.
登録日2015-01-28
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural characterization of the alpha-N-acetylglucosaminidase, a key enzyme in the pathogenesis of Sanfilippo syndrome B.
J.Struct.Biol., 205, 2019
4Y0F
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BU of 4y0f by Molmil
Crystal Structure of Human TDP-43 RRM1 Domain in Complex with an Unmodified Single-stranded DNA
分子名称: DNA (5'-D(*GP*TP*TP*GP*AP*GP*CP*GP*TP*T)-3'), TAR DNA-binding protein 43
著者Chiang, C.H, Kuo, P.H, Doudeva, L.G, Wang, Y.T, Yuan, H.S.
登録日2015-02-06
公開日2016-02-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Structural analysis of disease-related TDP-43 D169G mutation: linking enhanced stability and caspase cleavage efficiency to protein accumulation
Sci Rep, 6, 2016
4Y0O
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Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii.
分子名称: Beta-lactamase
著者Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
登録日2015-02-06
公開日2016-01-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
4Y0U
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Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii.
分子名称: 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
登録日2015-02-06
公開日2016-01-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
4Y2B
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Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A
分子名称: 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, ...
著者Endo, Y, Kawai, K, Asano, T, Amano, S, Asanuma, Y, Sawada, K, Onodera, Y, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Irie, T.
登録日2015-02-09
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
5C0N
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BU of 5c0n by Molmil
Development of a monoclonal antibody targeting secreted aP2 to treat diabetes and fatty liver disease
分子名称: Fab CA33 Heavy chain, Fab CA33 light chain, Fatty acid-binding protein, ...
著者Doyle, C.
登録日2015-06-12
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Development of a therapeutic monoclonal antibody that targets secreted fatty acid-binding protein aP2 to treat type 2 diabetes.
Sci Transl Med, 7, 2015

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