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5YDJ
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BU of 5ydj by Molmil
Crystal structure of anopheles gambiae acetylcholinesterase in complex with PMSF
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, Acetylcholinesterase, ...
著者Han, Q, Guan, H, Ding, H, Liao, C, Robinson, H, Li, J.
登録日2017-09-13
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
5YDI
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BU of 5ydi by Molmil
Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles gambiae, new crystal packing
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, GLYCEROL, ...
著者Han, Q, Guan, H, Ding, H, Liao, C, Robinson, H, Li, J.
登録日2017-09-13
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
5YDH
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BU of 5ydh by Molmil
Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles gambiae, 3.2 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetylcholinesterase, ...
著者Han, Q, Guan, H, Robinson, H, Ding, H, Liao, C, Li, J.
登録日2017-09-13
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
6JRL
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BU of 6jrl by Molmil
Crystal structure of Drosophila alpha methyldopa-resistant protein/3,4-dihydroxyphenylacetaldehyde synthase
分子名称: 3,4-dihydroxyphenylacetaldehyde synthase
著者Wei, S, Vavrick, C.J, Guan, H, Liao, C, Robinson, H, Liang, J, Wang, D, Han, Q, Li, J.
登録日2019-04-04
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the bifunctional mechanism of Drosophila alpha methyldopa-resistant protein/3,4-dihydroxyphenylacetaldehyde synthase
To Be Published
1USV
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BU of 1usv by Molmil
The Structure of the complex between Aha1 and HSP90
分子名称: AHA1, HEAT SHOCK PROTEIN HSP82
著者Meyer, P, Roe, S.M, Pearl, L.H.
登録日2003-12-01
公開日2004-01-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for Recruitment of the ATPase Activator Aha1 to the Hsp90 Chaperone Machinery.
Embo J., 23, 2004
1USU
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BU of 1usu by Molmil
The Structure of the complex between Aha1 and HSP90
分子名称: AHA1, GLYCEROL, HEAT SHOCK PROTEIN HSP82
著者Meyer, P, Roe, S.M, Pearl, L.H.
登録日2003-12-01
公開日2004-01-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Basis for Recruitment of the ATPase Activator Aha1 to the Hsp90 Chaperone Machinery.
Embo J., 23, 2004
3C5L
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BU of 3c5l by Molmil
Polo-like kinase 1 Polo box domain in complex with PPHSpT peptide
分子名称: Peptide, Serine/threonine-protein kinase PLK1
著者Lim, D.C, Yaffe, M.B.
登録日2008-01-31
公開日2009-02-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
4FZ7
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BU of 4fz7 by Molmil
Crystal structure of spleen tyrosine kinase complexed with 6-((1R,2S)-2-Amino-cyclohexylamino)-4-(6-ethyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide
分子名称: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-07-06
公開日2013-07-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors.
J. Med. Chem., 57, 2014
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0R
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BU of 4i0r by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0T
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BU of 4i0t by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
分子名称: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4GFG
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BU of 4gfg by Molmil
Crystal structure of spleen tyrosine kinase complexed with r9021
分子名称: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK
著者Lukacs, C, Slade, M.
登録日2012-08-03
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A specific SYK inhibitor blocks B Cell Receptor, Fc Receptor, and Toll-like Receptor 9 pathways for the treatment of inflammatory diseases.
To be Published
6U63
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Mcl-1 bound to compound 17
分子名称: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U6F
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BU of 6u6f by Molmil
The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
分子名称: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
登録日2019-08-29
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U65
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Mcl-1 bound to compound 19
分子名称: 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ...
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U64
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BU of 6u64 by Molmil
Mcl-1 bound to compound 17
分子名称: 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U67
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BU of 6u67 by Molmil
Mcl-1 bound to compound 24
分子名称: 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid, BIPHENYL, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
4HVI
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JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
分子名称: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVH
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JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
分子名称: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVG
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JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
分子名称: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
分子名称: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
3FVH
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BU of 3fvh by Molmil
Polo-like kinase 1 Polo box domain in complex with Ac-LHSpTA-NH2 peptide
分子名称: Acetyl-Leu-His-Ser-phosphoThr-Ala-NH2 peptide, Serine/threonine-protein kinase PLK1
著者Lim, D.C, Yaffe, M.B.
登録日2009-01-15
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1
Nat.Struct.Mol.Biol., 16, 2009
3HIH
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Structure of human Plk1-PBD with glycerol and sulfate in the phophopeptide binding site
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
著者Wlodawer, A, Moulaei, T.
登録日2009-05-20
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
3HIK
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Structure of human Plk1-PBD in complex with PLHSpT
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Pentamer phosphopeptide, ...
著者Wlodawer, A, Moulaei, T.
登録日2009-05-20
公開日2009-06-09
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
8JI8
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Crystal Structure of Prophenoloxidase PPO6 chimeric mutant (F215EASNRAIVD224 to G215DGPDSVVR223) from Aedes aegypti
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, ...
著者Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
登録日2023-05-26
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mosquitoes have evolved two types of prophenoloxidases
To Be Published

 

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