2Y2I
 
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA3) | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | 登録日 | 2010-12-15 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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6SJ6
 | | Cryo-EM structure of 50S-RsfS complex from Staphylococcus aureus | | 分子名称: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | 著者 | Khusainov, I, Pellegrino, S, Yusupova, G, Yusupov, M, Fatkhullin, B. | | 登録日 | 2019-08-12 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach.
Nat Commun, 11, 2020
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3S35
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3E33
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2XKU
 | | Prion-like conversion during amyloid formation at atomic resolution | | 分子名称: | BETA-2-MICROGLOBULIN | | 著者 | Eichner, T, Kalverda, A.P, Thompson, G.S, Homans, S.W, Radford, S.E. | | 登録日 | 2010-07-12 | | 公開日 | 2011-02-09 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Conformational Conversion During Amyloid Formation at Atomic Resolution.
Mol.Cell, 41, 2011
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6HRQ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-09-28 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.845 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6S77
 | | Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183 | | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, Histone-arginine methyltransferase CARM1 | | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | 登録日 | 2019-07-04 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6S4N
 | | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | | 分子名称: | 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid, Oxysterols receptor LXR-beta, SULFATE ION | | 著者 | Sandmark, J, Jansson, A. | | 登録日 | 2019-06-28 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands.
Commun Biol, 2, 2019
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6S7K
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | 登録日 | 2019-07-05 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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6HTI
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | | 分子名称: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-04 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.693 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HTT
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-04 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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2XCW
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6RFW
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1039 | | 分子名称: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | | 著者 | Singh, A.K, Brown, D.G. | | 登録日 | 2019-04-16 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.183 Å) | | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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6RG9
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor | | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, CITRIC ACID, NAD kinase 1 | | 著者 | Gelin, M, Labesse, G. | | 登録日 | 2019-04-16 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
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6HS1
 | | EthR2 in complex with compound 9 (BDM76060) | | 分子名称: | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one, Probable transcriptional regulatory protein | | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | | 登録日 | 2018-09-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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3RZY
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6HTH
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5 | | 分子名称: | 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-04 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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2XAC
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6HU3
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor | | 分子名称: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.655 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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3S37
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3EHU
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6RWM
 | | SIVrcm intasome in complex with bictegravir | | 分子名称: | Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ... | | 著者 | Cherepanov, P, Nans, A, Cook, N. | | 登録日 | 2019-06-05 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | | 主引用文献 | Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
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3E5A
 | | Crystal structure of Aurora A in complex with VX-680 and TPX2 | | 分子名称: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ... | | 著者 | Zhao, B, Smallwood, A, Lai, Z. | | 登録日 | 2008-08-13 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2.
Protein Sci., 17, 2008
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2X7O
 | | Crystal structure of TGFbRI complexed with an indolinone inhibitor | | 分子名称: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I | | 著者 | Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. | | 登録日 | 2010-03-03 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri)
J.Med.Chem., 53, 2010
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3DEI
 | | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | | 分子名称: | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 | | 著者 | Wu, J, Du, J, Li, J, Ding, J. | | 登録日 | 2008-06-10 | | 公開日 | 2008-09-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
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