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1YM4
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Crystal structure of human beta secretase complexed with NVP-AMK640
分子名称: Beta-secretase 1, NVP-AMK640 INHIBITOR
著者Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
登録日2005-01-20
公開日2006-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
1YM2
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BU of 1ym2 by Molmil
Crystal structure of human beta secretase complexed with NVP-AUR200
分子名称: Beta-secretase 1, NVP-AUR200 INHIBITOR
著者Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
登録日2005-01-20
公開日2006-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
1ZFP
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BU of 1zfp by Molmil
GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PENTAPEPTIDE
分子名称: EPIDERMAL GROWTH FACTOR RECEPTOR-DERIVED PEPTIDE, GROWTH FACTOR RECEPTOR BINDING PROTEIN, ZINC ION
著者Rahuel, J.
登録日1998-03-26
公開日1999-03-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the high affinity of amino-aromatic SH2 phosphopeptide ligands.
J.Mol.Biol., 279, 1998
1TZE
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BU of 1tze by Molmil
SIGNAL TRANSDUCTION ADAPTOR GROWTH FACTOR, GRB2 SH2 DOMAIN COMPLEXED WITH PHOSPHOTYROSYL HEPTAPEPTIDE LYS-PRO-PHE-PTYR-VAL-ASN-VAL-NH2 (KFPPYVNC-NH2)
分子名称: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, PHOSPHOTYROSYL HEPTAPEPTIDE LYS-PRO-PHE-PTYR-VAL-ASN-VAL-NH2
著者Rahuel, J, Grutter, M.G.
登録日1996-06-06
公開日1997-07-07
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for specificity of Grb2-SH2 revealed by a novel ligand binding mode.
Nat.Struct.Biol., 3, 1996
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
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
1BX7
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BU of 1bx7 by Molmil
HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.2 ANGSTROMS
分子名称: HIRUSTASIN, SULFATE ION
著者Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E.
登録日1998-10-14
公開日1999-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
1BX8
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BU of 1bx8 by Molmil
HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.4 ANGSTROMS
分子名称: HIRUSTASIN, SULFATE ION
著者Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E.
登録日1998-10-14
公開日1999-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
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
5DGS
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BU of 5dgs by Molmil
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
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
3CS9
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BU of 3cs9 by Molmil
Human ABL kinase in complex with nilotinib
分子名称: Nilotinib, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Manley, P, Liebetanz, J, Fabbro, D.
登録日2008-04-09
公開日2008-04-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl
Cancer Cell, 7, 2005
3MS9
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BU of 3ms9 by Molmil
ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ...
著者Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
登録日2010-04-29
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
3MSS
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BU of 3mss by Molmil
Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, O-benzyl-N-methyl-L-tyrosinamide, Tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
登録日2010-04-29
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
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