3OVL
 
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8BGR
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3OX8
 | | Crystal Structure of HLA A*02:03 Bound to HBV Core 18-27 | | 分子名称: | 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen | | 著者 | Liu, J, Chen, Y, Lai, L, Ren, E. | | 登録日 | 2010-09-21 | | 公開日 | 2011-05-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
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1WBG
 | | Active site thrombin inhibitors | | 分子名称: | 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE, DIMETHYL SULFOXIDE, HIRUGEN, ... | | 著者 | Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H. | | 登録日 | 2004-11-01 | | 公開日 | 2005-01-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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8B3X
 | | High resolution crystal structure of dimeric SUDV VP40 | | 分子名称: | Matrix protein VP40 | | 著者 | Werner, A.-D, Norris, M, Saphire, E.O, Becker, S. | | 登録日 | 2022-09-17 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.531 Å) | | 主引用文献 | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
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4DEL
 | | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis | | 分子名称: | ACETATE ION, Fructose-bisphosphate aldolase, HEXAETHYLENE GLYCOL, ... | | 著者 | Pegan, S.D, Mesecar, A.D. | | 登録日 | 2012-01-20 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
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8PE9
 | | Complex between DDR1 DS-like domain and PRTH-101 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N. | | 登録日 | 2023-06-13 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.152 Å) | | 主引用文献 | A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer.
J Immunother Cancer, 11, 2023
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4LL3
 | | Structure of wild-type HIV protease in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | 著者 | Grantz Saskova, K, Rezacova, P, Brynda, J, Kozisek, M, Konvalinka, J. | | 登録日 | 2013-07-09 | | 公開日 | 2014-04-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Thermodynamic and structural analysis of HIV protease resistance to darunavir - analysis of heavily mutated patient-derived HIV-1 proteases.
Febs J., 281, 2014
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8AR3
 | | Solution structure of TLR9 transmembrane and cytoplasmic juxtamembrane regions | | 分子名称: | Toll-like receptor 9 | | 著者 | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | | 登録日 | 2022-08-15 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors.
Nat Commun, 14, 2023
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8AR0
 | | Solution structure of TLR2 transmembrane and cytoplasmic juxtamembrane regions | | 分子名称: | Toll-like receptor 2 | | 著者 | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | | 登録日 | 2022-08-15 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors.
Nat Commun, 14, 2023
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4CRY
 | | Direct visualisation of strain-induced protein post-translational modification | | 分子名称: | ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, CHLORIDE ION, ... | | 著者 | Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E. | | 登録日 | 2014-03-02 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Direct Visualisation of Strain-Induced Protein Post-Translational Modification
To be Published
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8QFB
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4LEN
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4EOJ
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | 著者 | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | 登録日 | 2012-04-14 | | 公開日 | 2013-02-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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8B3A
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8B8H
 | | Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS | | 分子名称: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ... | | 著者 | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | | 登録日 | 2022-10-04 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
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3MSF
 | | Crystal structure of Thermolysin in complex with Urea | | 分子名称: | CALCIUM ION, GLYCEROL, Thermolysin, ... | | 著者 | Behnen, J, Heine, A, Klebe, G. | | 登録日 | 2010-04-29 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
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3M6F
 | | CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | | 分子名称: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | | 著者 | Sheriff, S. | | 登録日 | 2010-03-15 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
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4ES9
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4EOK
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 | | 分子名称: | Cyclin-A2, Cyclin-dependent kinase 2, MONOTHIOGLYCEROL, ... | | 著者 | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | 登録日 | 2012-04-14 | | 公開日 | 2013-02-06 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4EOS
 | | Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 | | 分子名称: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2 | | 著者 | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | 登録日 | 2012-04-14 | | 公開日 | 2013-02-06 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4NXI
 | | Rv2466c Mediates the Activation of TP053 To Kill Replicating and Non-replicating Mycobacterium tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein | | 著者 | Albesa-Jove, D, Urresti, S, Comino, N, Guerin, M.E. | | 登録日 | 2013-12-09 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Rv2466c mediates the activation of TP053 to kill replicating and non-replicating Mycobacterium tuberculosis.
Acs Chem.Biol., 9, 2014
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4EUX
 | | Structure of neuronal nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)pentyl)-4-methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2012-04-25 | | 公開日 | 2012-07-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
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4EXG
 | | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | | 著者 | Borkakoti, N, Lindberg, J, Derbyshire, D. | | 登録日 | 2012-04-30 | | 公開日 | 2012-10-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Bioorg.Med.Chem.Lett., 22, 2012
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4NZM
 | | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PA-InsP5 | | 分子名称: | (2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ... | | 著者 | Wang, H, Shears, S.B. | | 登録日 | 2013-12-12 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
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