2WRS
 
 | | Crystal Structure of the Mono-Zinc Metallo-beta-lactamase VIM-4 from Pseudomonas aeruginosa | | 分子名称: | BETA-LACTAMASE VIM-4, CITRATE ANION, CITRIC ACID, ... | | 著者 | Lassaux, P, Hamel, M, Gulea, M, Delbruck, H, Traore, D.A.K, Mercuri, P.S, Horsfall, L, Dehareng, D, Gaumont, A.-C, Frere, J.-M, Ferrer, J.-L, Hoffmann, K, Galleni, M, Bebrone, C. | | 登録日 | 2009-09-02 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-Beta-Lactamases.
J.Med.Chem., 53, 2010
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3GAX
 | | Crystal structure of monomeric human cystatin C stabilized against aggregation | | 分子名称: | Cystatin-C | | 著者 | Kolodziejczyk, R, Michalska, K, Hernandez-Santoyo, A, Wahlbom, M, Grubb, A, Jaskolski, M. | | 登録日 | 2009-02-18 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of human cystatin C stabilized against amyloid formation.
Febs J., 277, 2010
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7RAB
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4MY0
 | | Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, GCN5-related N-acetyltransferase, ... | | 著者 | Kim, Y, Mack, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2013-09-26 | | 公開日 | 2013-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida
To be Published
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7R75
 | | Structure of human SHP2 in complex with compound 16 | | 分子名称: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Leonard, P.G, Cross, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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4N4E
 | | Thermolysin in complex with UBTLN58 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2013-10-08 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors.
Chemmedchem, 4, 2014
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7LHR
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3GBU
 | | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized sugar kinase PH1459 | | 著者 | Eswaramoorthy, S, Kumar, G, Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2009-02-20 | | 公開日 | 2009-03-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP
To be Published
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7R7D
 | | Structure of human SHP2 in complex with compound 22 | | 分子名称: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Leonard, P.G, Cross, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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2WS7
 | | Semi-synthetic analogue of human insulin ProB26-DTI | | 分子名称: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | 著者 | Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G. | | 登録日 | 2009-09-03 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Implications for the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7LHU
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8UT1
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Burke, S.M, Hibbs, R.E, Noviello, C.M. | | 登録日 | 2023-10-30 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8V82
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | 登録日 | 2023-12-04 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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4MZU
 | | Crystal structure of FdtD, a bifunctional ketoisomerase/N-acetyltransferase from Shewanella denitrificans | | 分子名称: | COENZYME A, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE, ... | | 著者 | Chantigian, D.P, Thoden, J.B, Holden, H.M. | | 登録日 | 2013-09-30 | | 公開日 | 2013-10-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and Biochemical Characterization of a Bifunctional Ketoisomerase/N-Acetyltransferase from Shewanella denitrificans.
Biochemistry, 52, 2013
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8V8D
 | | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 2 | | 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, CALCIUM ION, ... | | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | 登録日 | 2023-12-05 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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5CYS
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8V86
 | | Alpha7-nicotinic acetylcholine receptor bound to GAT107 | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | 登録日 | 2023-12-04 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (2.47 Å) | | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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4IGT
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist ZA302 at 1.24A resolution | | 分子名称: | (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, GLYCEROL, Glutamate receptor 2, ... | | 著者 | Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K. | | 登録日 | 2012-12-18 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.
J.Med.Chem., 56, 2013
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3BSO
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7R7L
 | | Structure of human SHP2 in complex with compound 30 | | 分子名称: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Leonard, P.G, Cross, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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7LTM
 | | Hum8 capsid | | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein | | 著者 | Mietzsch, M, Agbandje-McKenna, M. | | 登録日 | 2021-02-19 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.49 Å) | | 主引用文献 | Receptor Switching in Newly Evolved Adeno-associated Viruses.
J.Virol., 95, 2021
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7RP0
 | | Structural Snapshots of Intermediates in the Gating of a K+ Channel | | 分子名称: | DIACYL GLYCEROL, KcsA Fab chain A, KcsA Fab chain B, ... | | 著者 | Reddi, R, Matulef, K, Riederer, E.A, Valiyaveetil, F.I. | | 登録日 | 2021-08-02 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Structures of Gating Intermediates in a K + channell.
J.Mol.Biol., 433, 2021
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5ENZ
 | | S. aureus MnaA-UDP co-structure | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Fischmann, T.O. | | 登録日 | 2015-11-09 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Chemical Genetic Analysis and Functional Characterization of Staphylococcal Wall Teichoic Acid 2-Epimerases Reveals Unconventional Antibiotic Drug Targets.
Plos Pathog., 12, 2016
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5D0U
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7R7I
 | | Structure of human SHP2 in complex with compound 27 | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | | 著者 | Leonard, P.G, Cross, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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