4FJZ
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![BU of 4fjz by Molmil](/molmil-images/mine/4fjz) | Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | Descriptor: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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4FJY
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![BU of 4fjy by Molmil](/molmil-images/mine/4fjy) | Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f | Descriptor: | 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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4IAG
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![BU of 4iag by Molmil](/molmil-images/mine/4iag) | Crystal structure of ZbmA, the zorbamycin binding protein from Streptomyces flavoviridis | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein | Authors: | Cuff, M.E, Bigelow, L, Bruno, C.J.P, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2012-12-06 | Release date: | 2013-02-20 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892. Biochemistry, 54, 2015
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7SU1
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![BU of 7su1 by Molmil](/molmil-images/mine/7su1) | Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ... | Authors: | Lee, P.S, Chau, B, Strop, P. | Deposit date: | 2021-11-15 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Improved therapeutic index of an acidic pH-selective antibody. Mabs, 14, 2022
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7SU0
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![BU of 7su0 by Molmil](/molmil-images/mine/7su0) | Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ... | Authors: | Lee, P.S, Chau, B, Strop, P. | Deposit date: | 2021-11-15 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Improved therapeutic index of an acidic pH-selective antibody. Mabs, 14, 2022
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3I5N
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![BU of 3i5n by Molmil](/molmil-images/mine/3i5n) | Crystal structure of c-Met with triazolopyridazine inhibitor 13 | Descriptor: | 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, Whittington, D.A, Long, A.M, Boezio, A.A. | Deposit date: | 2009-07-06 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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6SKV
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![BU of 6skv by Molmil](/molmil-images/mine/6skv) | |
6SKS
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![BU of 6sks by Molmil](/molmil-images/mine/6sks) | |
6SKT
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![BU of 6skt by Molmil](/molmil-images/mine/6skt) | |
5NJZ
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![BU of 5njz by Molmil](/molmil-images/mine/5njz) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1g | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.768 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK1
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![BU of 5nk1 by Molmil](/molmil-images/mine/5nk1) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1k | Descriptor: | 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK6
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![BU of 5nk6 by Molmil](/molmil-images/mine/5nk6) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2d | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.267 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK2
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![BU of 5nk2 by Molmil](/molmil-images/mine/5nk2) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2b | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKA
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![BU of 5nka by Molmil](/molmil-images/mine/5nka) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2g | Descriptor: | 1,2-ETHANEDIOL, 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.377 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKH
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![BU of 5nkh by Molmil](/molmil-images/mine/5nkh) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3e | Descriptor: | 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK5
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![BU of 5nk5 by Molmil](/molmil-images/mine/5nk5) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1m | Descriptor: | 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.329 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKD
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![BU of 5nkd by Molmil](/molmil-images/mine/5nkd) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2i | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK8
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![BU of 5nk8 by Molmil](/molmil-images/mine/5nk8) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2f | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKG
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![BU of 5nkg by Molmil](/molmil-images/mine/5nkg) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3d | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK0
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![BU of 5nk0 by Molmil](/molmil-images/mine/5nk0) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1j | Descriptor: | 2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.597 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK4
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![BU of 5nk4 by Molmil](/molmil-images/mine/5nk4) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2c | Descriptor: | 1,2-ETHANEDIOL, 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKB
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![BU of 5nkb by Molmil](/molmil-images/mine/5nkb) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4a | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK3
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![BU of 5nk3 by Molmil](/molmil-images/mine/5nk3) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1l | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.586 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKC
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![BU of 5nkc by Molmil](/molmil-images/mine/5nkc) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2h | Descriptor: | (3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.448 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK7
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![BU of 5nk7 by Molmil](/molmil-images/mine/5nk7) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2a | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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