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PDB: 34 件
5K5N
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Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor
分子名称: 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide, Glycogen synthase kinase-3 beta, SULFATE ION
著者Kurumbail, R.G, Chang, J.S.
登録日2016-05-23
公開日2016-09-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Highly Selective Glycogen Synthase Kinase-3 Inhibitor (PF-04802367) That Modulates Tau Phosphorylation in the Brain: Translation for PET Neuroimaging.
Angew.Chem.Int.Ed.Engl., 55, 2016
8E4Y
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BU of 8e4y by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ...
著者Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H.
登録日2022-08-19
公開日2022-12-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
8E50
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Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ...
著者Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H.
登録日2022-08-19
公開日2022-12-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
3O41
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Crystal Structure of 101F Fab Bound to 15-mer Peptide Epitope
分子名称: Fusion glycoprotein F1, Mouse monoclonal antibody 101F Fab heavy chain, Mouse monoclonal antibody 101F Fab light chain, ...
著者McLellan, J.S, Chen, M, Chang, J.S, Yang, Y, Kim, A, Graham, B.S, Kwong, P.D.
登録日2010-07-26
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of a Major Antigenic Site on the Respiratory Syncytial Virus Fusion Glycoprotein in Complex with Neutralizing Antibody 101F.
J.Virol., 84, 2010
3O45
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Crystal Structure of 101F Fab Bound to 17-mer Peptide Epitope
分子名称: Fusion glycoprotein F1, Mouse monoclonal antibody 101F 101F Fab heavy chain, Mouse monoclonal antibody 101F 101F Fab light chain, ...
著者McLellan, J.S, Chen, M, Chang, J.S, Yang, Y, Kim, A, Graham, B.S, Kwong, P.D.
登録日2010-07-26
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.872 Å)
主引用文献Structure of a Major Antigenic Site on the Respiratory Syncytial Virus Fusion Glycoprotein in Complex with Neutralizing Antibody 101F.
J.Virol., 84, 2010
5UIS
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Crystal structure of IRAK4 in complex with compound 12
分子名称: 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIQ
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Crystal structure of IRAK4 in complex with compound 9
分子名称: 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIU
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Crystal structure of IRAK4 in complex with compound 30
分子名称: 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIR
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Crystal structure of IRAK4 in complex with compound 11
分子名称: 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIT
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Crystal structure of IRAK4 in complex with compound 14
分子名称: 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
3TUC
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BU of 3tuc by Molmil
Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
分子名称: 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK
著者Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A.
登録日2011-09-16
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
3TUD
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Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
分子名称: N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide, Tyrosine-protein kinase SYK
著者Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A.
登録日2011-09-16
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
3JSL
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BU of 3jsl by Molmil
Crystal structure of the adenylation domain of NAD+-dependent DNA ligase from Staphylococcus aureus
分子名称: DNA ligase, SULFATE ION
著者Han, S, Chang, J.S, Griffor, M.
登録日2009-09-10
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the adenylation domain of NAD(+)-dependent DNA ligase from Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 65, 2009
3JSN
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Crystal structure of the adenylation domain of NAD+-dependent DNA ligase from Staphylococcus aureus
分子名称: DNA ligase
著者Han, S, Chang, J.S, Griffor, M.
登録日2009-09-10
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the adenylation domain of NAD(+)-dependent DNA ligase from Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 65, 2009
4E3Q
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BU of 4e3q by Molmil
PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ...
著者Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
登録日2012-03-10
公開日2012-10-10
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
4E3R
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BU of 4e3r by Molmil
PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis
分子名称: Pyruvate transaminase, SODIUM ION, SULFATE ION
著者Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
登録日2012-03-10
公開日2012-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
7XZR
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BU of 7xzr by Molmil
Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
登録日2022-06-03
公開日2022-10-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
7XZQ
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Crystal structure of TNIK-thiopeptide TP1 complex
分子名称: 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1
著者Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
登録日2022-06-03
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
1G52
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CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
著者Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
登録日2000-10-30
公開日2000-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
1I91
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CARBONIC ANHYDRASE II COMPLEXED WITH AL-6619 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE
分子名称: 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W.
登録日2001-03-16
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV.
J.Med.Chem., 45, 2002
1I8Z
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CARBONIC ANHYDRASE II COMPLEXED WITH AL-6629 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE
分子名称: 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W.
登録日2001-03-16
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV.
J.Med.Chem., 45, 2002
1I90
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CARBONIC ANHYDRASE II COMPLEXED WITH AL-8520 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-, 1,1-DIOXIDE, (R)
分子名称: 4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-THIENO[3,2-E][1,2]THIAZINE 1,1-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W.
登録日2001-03-16
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV.
J.Med.Chem., 45, 2002
1G1D
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CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
著者Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
登録日2000-10-11
公開日2000-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
1G4O
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CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-BENZYL-4-SULFAMOYL-BENZAMIDE, ...
著者Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
登録日2000-10-27
公開日2000-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
1G53
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CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
著者Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
登録日2000-10-30
公開日2000-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000

 

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