8RZB
| IL-1beta in complex with covalent DEL hit | 分子名称: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | 著者 | Rondeau, J.-M, Lehmann, S. | 登録日 | 2024-02-12 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
|
|
8RYK
| |
8RYS
| Human IL-1beta, unliganded | 分子名称: | Interleukin-1 beta, SULFATE ION | 著者 | Rondeau, J.-M, Lehmann, S. | 登録日 | 2024-02-09 | 公開日 | 2024-03-06 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
|
|
5DGM
| |
5DIQ
| Crystal structure of human FPPS in complex with salicylic acid derivative 3a | 分子名称: | 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | 著者 | Rondeau, J.M, Bourgier, E, Lehmann, S. | 登録日 | 2015-09-01 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
|
|
5DJP
| |
5DJV
| |
5DGS
| |
5DJR
| Crystal structure of human FPPS in complex with biaryl compound 6 | 分子名称: | 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | 著者 | Rondeau, J.M, Bourgier, E, Lehmann, S. | 登録日 | 2015-09-02 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
|
|
7Z3W
| Crystal structure of the AAL160 Fab | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AAL160 Fab heavy-chain, AAL160 Fab light-chain | 著者 | Rondeau, J.M, Lehmann, S. | 登録日 | 2022-03-02 | 公開日 | 2023-02-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A". Commun Biol, 6, 2023
|
|
7Z4T
| |
7Z2M
| |
5DGN
| |
6ZTB
| Crystal Structure of human P-Cadherin EC1_EC2 | 分子名称: | CALCIUM ION, Cadherin-3, SODIUM ION | 著者 | Rondeau, J.M, Lehmann, S. | 登録日 | 2020-07-17 | 公開日 | 2021-05-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies. Mol.Cancer Ther., 20, 2021
|
|
6ZTF
| |
6ZTR
| Crystal Structure of the anti-human P-Cadherin Fab CQY684 in complex with human P-Cadherin(108-324) | 分子名称: | CALCIUM ION, CQY684 Fab heavy-chain, CQY684 Fab light-chain, ... | 著者 | Rondeau, J.M, Lehmann, S. | 登録日 | 2020-07-20 | 公開日 | 2021-05-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies. Mol.Cancer Ther., 20, 2021
|
|
8C3U
| Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist | 分子名称: | (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta | 著者 | Rondeau, J.-M, Lehmann, S, Koch, E. | 登録日 | 2022-12-28 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | 主引用文献 | Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta. Nat Commun, 14, 2023
|
|
5NGV
| |
2F7M
| Crystal Structure of Unliganded Human FPPS | 分子名称: | Farnesyl Diphosphate Synthase, PHOSPHATE ION | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-01 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
|
|
2F89
| Crystal structure of human FPPS in complex with pamidronate | 分子名称: | Farnesyl Diphosphate Synthase, MANGANESE (II) ION, PAMIDRONATE, ... | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-02 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
|
|
2F94
| Crystal structure of human FPPS in complex with ibandronate | 分子名称: | Farnesyl Diphosphate Synthase, IBANDRONATE, PHOSPHATE ION, ... | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-05 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
|
|
2F8C
| Crystal structure of FPPS in complex with Zoledronate | 分子名称: | Farnesyl Diphosphate Synthase, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-02 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
|
|
2F92
| Crystal structure of human FPPS in complex with alendronate | 分子名称: | 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl Diphosphate Synthase, PHOSPHATE ION, ... | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-05 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
|
|
2F8Z
| Crystal structure of human FPPS in complex with zoledronate and isopentenyl diphosphate | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl Diphosphate Synthase, MAGNESIUM ION, ... | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-02 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
|
|
2F9K
| Crystal structure of human FPPS in complex with Zoledronate and Zn2+ | 分子名称: | Farnesyl Diphosphate Synthase, PHOSPHATE ION, ZINC ION, ... | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | 登録日 | 2005-12-06 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. Chemmedchem, 1, 2006
|
|