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PDB: 66 件

5DGS
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Crystal structure of human FPPS in complex with the monophosphonate compound 15
分子名称: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2016-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
5DGN
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BU of 5dgn by Molmil
Crystal structure of human FPPS in complex with compound 13
分子名称: 8-(naphthalen-1-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
1JVP
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BU of 1jvp by Molmil
Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365
分子名称: 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole, Cell division protein kinase 2
著者Rondeau, J.M.
登録日2001-08-31
公開日2001-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-based design and protein X-ray analysis of a protein kinase inhibitor.
Bioorg.Med.Chem.Lett., 12, 2002
7ZAN
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BU of 7zan by Molmil
Crystal Structure of human IL-17A in complex with IL-17RA and IL-17RC
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, Interleukin-17A, ...
著者Rondeau, J.M, Goepfert, A.
登録日2022-03-22
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (5.061 Å)
主引用文献IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
7Z4T
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BU of 7z4t by Molmil
AAL160 FAB IN COMPLEX WITH HUMAN INTERLEUKIN-1 BETA
分子名称: AAL160 Fab heavy-chain, AAL160 light-chain, Interleukin-1 beta
著者Rondeau, J.M, Lehmann, S.
登録日2022-03-04
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.3 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
7Z3W
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BU of 7z3w by Molmil
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
7Z2M
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BU of 7z2m by Molmil
Crystal Structure of the 11.003 Fab in complex with human IL-17A
分子名称: 11.003 Fab heavy-chain, 11.003 Fab light-chain, GLYCEROL, ...
著者Rondeau, J.M, Lehmann, S.
登録日2022-02-28
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.899 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
5DGM
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BU of 5dgm by Molmil
Crystal structure of human FPPS in complex with monophosphonate compound 7
分子名称: Farnesyl pyrophosphate synthase, PHOSPHATE ION, {2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2016-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
5DIQ
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BU of 5diq by Molmil
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
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BU of 5djp by Molmil
Crystal structure of human FPPS in complex with biaryl compound 5
分子名称: 4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
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
5DJV
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BU of 5djv by Molmil
Crystal structure of human FPPS in complex with biaryl compound 8e
分子名称: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-09-02
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJR
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BU of 5djr by Molmil
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
5BVP
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BU of 5bvp by Molmil
The molecular mode of action and species specificity of canakinumab, a human monoclonal antibody neutralizing IL-1beta
分子名称: CHLORIDE ION, Canakinumab Fab light-chain, Interleukin-1 beta, ...
著者Rondeau, J.M.
登録日2015-06-05
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The molecular mode of action and species specificity of canakinumab, a human monoclonal antibody neutralizing IL-1 beta.
Mabs, 7, 2015
5BVJ
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BU of 5bvj by Molmil
The molecular mode of action and species specificity of canakinumab, a human monoclonal antibody neutralizing IL-1beta
分子名称: canakinumab Fab heavy-chain, canakinumab Fab light-chain
著者Rondeau, J.M.
登録日2015-06-05
公開日2015-09-02
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The molecular mode of action and species specificity of canakinumab, a human monoclonal antibody neutralizing IL-1 beta.
Mabs, 7, 2015
6HGU
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BU of 6hgu by Molmil
Crystal Structure of an anti-APP-tag Fab
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ...
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2019-11-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6ZTB
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BU of 6ztb by Molmil
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
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BU of 6ztf by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684
分子名称: 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 (1.55 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
6ZTR
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BU of 6ztr by Molmil
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
6HG4
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BU of 6hg4 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-22
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HGA
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BU of 6hga by Molmil
Crystal Structure of the human IL-17RC D2-D3-D4 domains in complex with an anti-APP tag Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor C, anti-APP-tag Fab heavy-chain, ...
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2020-03-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HGO
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BU of 6hgo by Molmil
Crystal Structure of human IL-17F
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17F, ...
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2019-11-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HG9
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BU of 6hg9 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F, Crystal form II
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
7B1P
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BU of 7b1p by Molmil
Crystal Structure of Human BACE-1 in Complex with Compound 38a (NB-854)
分子名称: Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
著者Rondeau, J.M, Wirth, E.
登録日2020-11-25
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
7B1Q
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Crystal Structure of Human BACE-1 in Complex with Compound NB-360 (compound 54)
分子名称: Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
著者Rondeau, J.M, Wirth, E.
登録日2020-11-25
公開日2021-04-28
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
7B1E
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BACE1 IN COMPLEX WITH compound 3 (NB-641)
分子名称: Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
著者Rondeau, J.M, Wirth, E.
登録日2020-11-24
公開日2021-04-28
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021

 

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