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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5GTR
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4N9L
| crystal structure of beta-lactamse PenP_E166S in complex with meropenem | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase | 著者 | Pan, X, Wong, W, Zhao, Y. | 登録日 | 2013-10-21 | 公開日 | 2014-09-10 | 最終更新日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
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5I2N
| Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLUTAMIC ACID, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-02-09 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J.Med.Chem., 59, 2016
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4N9K
| crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine | 分子名称: | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase | 著者 | Pan, X, Wong, W, Zhao, Y. | 登録日 | 2013-10-21 | 公開日 | 2014-09-10 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
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4ZXT
| Complex of ERK2 with catechol | 分子名称: | AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ... | 著者 | Kurinov, I, Malakhova, M. | 登録日 | 2015-05-20 | 公開日 | 2016-05-25 | 最終更新日 | 2016-10-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer. Oncotarget, 7, 2016
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5I2K
| Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19) | 分子名称: | 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-02-09 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J.Med.Chem., 59, 2016
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5GS4
| Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | 分子名称: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | 著者 | Xie, M, Wang, T, Li, Z.-G. | 登録日 | 2016-08-13 | 公開日 | 2017-08-30 | 最終更新日 | 2018-07-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides J. Med. Chem., 60, 2017
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4N92
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5GTD
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3LDC
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3LDE
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3LDD
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5JA5
| Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A and L130A mutant in complex with rice D53 repressor EAR peptide motif | 分子名称: | Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION | 著者 | Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | 登録日 | 2016-04-12 | 公開日 | 2017-07-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex. Sci Adv, 3, 2017
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7X38
| Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 8A10 (CVB1-E:8A10) | 分子名称: | 8A10 heavy chain, 8A10 light chain, VP2, ... | 著者 | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | 登録日 | 2022-02-28 | 公開日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail. Cell Host Microbe, 30, 2022
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7X3F
| Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 9A3 (CVB1-A:9A3) | 分子名称: | 9A3 heavy chain, 9A3 light chain, VP2, ... | 著者 | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | 登録日 | 2022-02-28 | 公開日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail. Cell Host Microbe, 30, 2022
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7X42
| Cryo-EM structure of Coxsackievirus B1 pre-A-particle in complex with nAb 8A10 (classified from CVB1 mature virion in complex with 8A10 and 2E6) | 分子名称: | 8A10 heavy chain, 8A10 light chain, Capsid protein VP0, ... | 著者 | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | 登録日 | 2022-03-01 | 公開日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (3.88 Å) | 主引用文献 | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail. Cell Host Microbe, 30, 2022
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3SKA
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5I29
| TAF1(2) bound to a pyrrolopyridone compound | 分子名称: | CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | 著者 | Tang, Y, Poy, F, Bellon, S.F. | 登録日 | 2016-02-08 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.21 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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3SKH
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4PW2
| Crystal structure of D-glucuronyl C5 epimerase | 分子名称: | CITRIC ACID, D-glucuronyl C5 epimerase B | 著者 | Ke, J, Qin, Y, Gu, X, Brunzelle, J.S, Xu, H.E, Ding, K. | 登録日 | 2014-03-18 | 公開日 | 2015-01-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Functional Study of d-Glucuronyl C5-epimerase. J.Biol.Chem., 290, 2015
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4PDM
| Crystal Structure of K+ selective NaK mutant in rubidium | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION | 著者 | Lam, Y. | 登録日 | 2014-04-19 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | High Resolution Structural Views of Rubidium, Cesium and Barium Binding within a Potassium Selective Channel Filter To Be Published
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5I1Q
| Second bromodomain of TAF1 bound to a pyrrolopyridone compound | 分子名称: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1 | 著者 | Tang, Y, Poy, F, Bellon, S.F. | 登録日 | 2016-01-09 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 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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4PXQ
| Crystal structure of D-glucuronyl C5-epimerase in complex with heparin hexasaccharide | 分子名称: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, D-glucuronyl C5 epimerase B | 著者 | Ke, J, Qin, Y, Gu, X, Tan, J, Brunzelle, J.S, Xu, H.E, Ding, K. | 登録日 | 2014-03-24 | 公開日 | 2015-01-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and Functional Study of d-Glucuronyl C5-epimerase. J.Biol.Chem., 290, 2015
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6WIB
| Next generation monomeric IgG4 Fc | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 4, ZINC ION | 著者 | Oganesyan, V.Y, Shan, L, Dall'Acqua, W, van Dyk, N. | 登録日 | 2020-04-09 | 公開日 | 2021-09-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance. Commun Biol, 4, 2021
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