5I7Y
 
 | | BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | | 分子名称: | 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 9 | | 著者 | Murray, J.M. | | 登録日 | 2016-02-18 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.4514 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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6V7X
 | | Structure of a phage-encoded quorum sensing anti-activator, Aqs1 bound to LasR | | 分子名称: | N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR | | 著者 | Shah, M, Moraes, T.F, Maxwell, K.L. | | 登録日 | 2019-12-09 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
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6UQD
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5IDO
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1H7M
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1GO1
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2W3A
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6V52
 | | IDO1 IN COMPLEX WITH COMPOUND 1 | | 分子名称: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | | 登録日 | 2019-12-03 | | 公開日 | 2020-04-08 | | 最終更新日 | 2020-04-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
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6V7C
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 3 | | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-) | | 著者 | Palte, R.L. | | 登録日 | 2019-12-08 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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5IQ9
 | | Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide. | | 分子名称: | 10E8v4 Heavy Chain, 10E8v4 Light Chain, gp41 MPER peptide | | 著者 | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | | 登録日 | 2016-03-10 | | 公開日 | 2016-04-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design.
J.Virol., 90, 2016
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6V4H
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6V7V
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6V3M
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6V4F
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2VK2
 | | Crystal structure of a galactofuranose binding protein | | 分子名称: | ABC TRANSPORTER PERIPLASMIC-BINDING PROTEIN YTFQ, beta-D-galactofuranose | | 著者 | Muller, A, Horler, R.S.P, Thomas, G.H, Wilson, K.S. | | 登録日 | 2007-12-16 | | 公開日 | 2009-05-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Furanose-Specific Sugar Transport: Characterization of a Bacterial Galactofuranose-Binding Protein.
J.Biol.Chem., 284, 2009
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6V7D
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10 | | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) | | 著者 | Palte, R.L, Lesburg, C.A. | | 登録日 | 2019-12-08 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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5J3S
 | | Crystal structure of the catalytic domain of human tyrosyl DNA phosphodiesterase 2 in complex with a small molecule inhibitor | | 分子名称: | 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, Tyrosyl-DNA phosphodiesterase 2 | | 著者 | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | | 登録日 | 2016-03-31 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
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5J5A
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556) | | 分子名称: | METHIONINE, Methionyl-tRNA synthetase, putative, ... | | 著者 | Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J. | | 登録日 | 2016-04-01 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
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6V7E
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 12 | | 分子名称: | 3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | 著者 | Palte, R.L. | | 登録日 | 2019-12-08 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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6V7W
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5J96
 | | Crystal structure of Slow Bee Paralysis Virus at 3.4A resolution | | 分子名称: | Genome polyprotein, VP1, VP2 | | 著者 | Kalynych, S, Levdansky, Y, Palkova, L, Plevka, P. | | 登録日 | 2016-04-08 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | | 主引用文献 | Virion Structure of Iflavirus Slow Bee Paralysis Virus at 2.6-Angstrom Resolution.
J.Virol., 90, 2016
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6V7T
 | | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime | | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase | | 著者 | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | 登録日 | 2019-12-09 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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2VQD
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5J18
 | | Solution structure of Ras Binding Domain (RBD) of B-Raf complexed with Rigosertib (Complex I) | | 分子名称: | N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine, Serine/threonine-protein kinase B-raf | | 著者 | Dutta, K, Vasquez-Del Carpio, R, Aggarwal, A.K, Reddy, E.P. | | 登録日 | 2016-03-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling.
Cell, 165, 2016
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5J58
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856) | | 分子名称: | (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Barros-Alvarez, X, Hol, W.G.J. | | 登録日 | 2016-04-01 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
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