1KLQ
| The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes upon Binding to Either Mad1 or Cdc20 | 分子名称: | MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A, Mad2-binding peptide | 著者 | Luo, X, Tang, Z, Rizo, J, Yu, H. | 登録日 | 2001-12-12 | 公開日 | 2002-01-25 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The Mad2 spindle checkpoint protein undergoes similar major conformational changes upon binding to either Mad1 or Cdc20. Mol.Cell, 9, 2002
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8T5K
| Crystal structure of STING CTD in complex with BDW-OH | 分子名称: | Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid | 著者 | Li, Y, Li, P, Sun, D. | 登録日 | 2023-06-13 | 公開日 | 2023-07-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants. Biorxiv, 2023
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8T5L
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8HVS
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4R5Y
| The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | 分子名称: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | 著者 | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | 登録日 | 2014-08-22 | 公開日 | 2016-02-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol.Cancer Ther., 14, 2015
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3UI7
| Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia | 分子名称: | 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Yang, S, Smotryski, J, Mcelroy, W, Ho, G, Tulshian, D, Greenlee, W.J, Hodgson, R, Xiao, L, Hruza, A. | 登録日 | 2011-11-04 | 公開日 | 2011-12-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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5W3R
| SH2B1 SH2 Domain | 分子名称: | PHENOL, PHOSPHATE ION, SH2B adapter protein 1 | 著者 | McKercher, M.A, Wuttke, D.S. | 登録日 | 2017-06-08 | 公開日 | 2017-11-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.386 Å) | 主引用文献 | Diversity in peptide recognition by the SH2 domain of SH2B1. Proteins, 86, 2018
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8SPZ
| Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine | 分子名称: | Apoptosis regulator BAX, SULFATE ION | 著者 | Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S. | 登録日 | 2023-05-04 | 公開日 | 2023-12-27 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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8SVK
| Crystal structure of Bax D71N core domain BH3-groove dimer | 分子名称: | Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | 著者 | Miller, M.S, Czabotar, P.E, Colman, P.M. | 登録日 | 2023-05-16 | 公開日 | 2023-12-27 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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8SPF
| Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ... | 著者 | Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M. | 登録日 | 2023-05-03 | 公開日 | 2023-12-27 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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8SRX
| Crystal structure of BAK-BAX heterodimer with lysoPC | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ... | 著者 | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | 登録日 | 2023-05-07 | 公開日 | 2023-12-27 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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8SRY
| Crystal structure of BAK-BAX heterodimer with C12E8 | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ... | 著者 | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | 登録日 | 2023-05-08 | 公開日 | 2023-12-27 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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8SQF
| OXA-48 bound to inhibitor CDD-2725 | 分子名称: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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8SQG
| OXA-48 bound to inhibitor CDD-2801 | 分子名称: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | 著者 | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | 登録日 | 2023-05-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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8SPE
| Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ... | 著者 | Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E. | 登録日 | 2023-05-03 | 公開日 | 2023-12-27 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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4OOF
| M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203F mutant bound to fosmidomycin and NADPH | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | 著者 | Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M. | 登録日 | 2014-01-31 | 公開日 | 2014-06-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin. Biochemistry, 53, 2014
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4YO6
| Irak4-inhibitor co-structure | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | 著者 | Fischmann, T.O. | 登録日 | 2015-03-11 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation. Acs Med.Chem.Lett., 6, 2015
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4YP8
| Irak4-inhibitor co-structure | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | 著者 | Fischmann, T.O. | 登録日 | 2015-03-12 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.641 Å) | 主引用文献 | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation. Acs Med.Chem.Lett., 6, 2015
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8VF6
| Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211 | 分子名称: | Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone | 著者 | Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M. | 登録日 | 2023-12-21 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Reversible male contraception by targeted inhibition of serine/threonine kinase 33. Science, 384, 2024
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6S9B
| EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | 分子名称: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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6S9C
| EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | 分子名称: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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6S9D
| EGFR-KINASE IN COMPLEX WITH COMPOUND 6 | 分子名称: | 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one, DIMETHYL SULFOXIDE, Epidermal growth factor receptor | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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6LAT
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6LB0
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7TJE
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