1XMU
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![BU of 1xmu by Molmil](/molmil-images/mine/1xmu) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Roflumilast | 分子名称: | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ZINC ION, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-10-04 | 公開日 | 2004-12-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XOQ
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![BU of 1xoq by Molmil](/molmil-images/mine/1xoq) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast | 分子名称: | 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-10-06 | 公開日 | 2004-12-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XLZ
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![BU of 1xlz by Molmil](/molmil-images/mine/1xlz) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Filaminast | 分子名称: | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME, MAGNESIUM ION, ZINC ION, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-09-30 | 公開日 | 2004-12-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XOT
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![BU of 1xot by Molmil](/molmil-images/mine/1xot) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Vardenafil | 分子名称: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, MAGNESIUM ION, ZINC ION, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-10-06 | 公開日 | 2004-12-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XN0
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![BU of 1xn0 by Molmil](/molmil-images/mine/1xn0) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R,S)-Rolipram | 分子名称: | MAGNESIUM ION, ROLIPRAM, ZINC ION, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-10-04 | 公開日 | 2004-12-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XP0
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![BU of 1xp0 by Molmil](/molmil-images/mine/1xp0) | Catalytic Domain Of Human Phosphodiesterase 5A In Complex With Vardenafil | 分子名称: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, MAGNESIUM ION, ZINC ION, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-10-07 | 公開日 | 2004-12-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XON
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![BU of 1xon by Molmil](/molmil-images/mine/1xon) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Piclamilast | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-10-06 | 公開日 | 2004-12-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XOM
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![BU of 1xom by Molmil](/molmil-images/mine/1xom) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Cilomilast | 分子名称: | 1,2-ETHANEDIOL, CILOMILAST, MAGNESIUM ION, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-10-06 | 公開日 | 2004-12-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1XMY
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![BU of 1xmy by Molmil](/molmil-images/mine/1xmy) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Rolipram | 分子名称: | MAGNESIUM ION, ROLIPRAM, ZINC ION, ... | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-10-04 | 公開日 | 2004-12-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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1Y2H
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![BU of 1y2h by Molmil](/molmil-images/mine/1y2h) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 1-(2-chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | 分子名称: | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ZINC ION, ... | 著者 | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | 登録日 | 2004-11-22 | 公開日 | 2005-03-01 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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3D9A
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![BU of 3d9a by Molmil](/molmil-images/mine/3d9a) | High Resolution Crystal Structure Structure of HyHel10 Fab Complexed to Hen Egg Lysozyme | 分子名称: | Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C | 著者 | DeSantis, M.E, Li, M, Shanmuganathan, A, Acchione, M, Walter, R, Wlodawer, A, Smith-Gill, S. | 登録日 | 2008-05-27 | 公開日 | 2008-06-10 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Light chain somatic mutations change thermodynamics of binding and water coordination in the HyHEL-10 family of antibodies. Mol.Immunol., 47, 2009
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7ONS
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![BU of 7ons by Molmil](/molmil-images/mine/7ons) | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | 分子名称: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONT
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![BU of 7ont by Molmil](/molmil-images/mine/7ont) | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | 分子名称: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.853 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONR
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![BU of 7onr by Molmil](/molmil-images/mine/7onr) | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | 分子名称: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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1BQL
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![BU of 1bql by Molmil](/molmil-images/mine/1bql) | |
3HFM
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![BU of 3hfm by Molmil](/molmil-images/mine/3hfm) | |
2IFF
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![BU of 2iff by Molmil](/molmil-images/mine/2iff) | |
4P48
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![BU of 4p48 by Molmil](/molmil-images/mine/4p48) | The structure of a chicken anti-cardiac Troponin I scFv | 分子名称: | Antibody scFv 180 | 著者 | Conroy, P.J, Law, R.H.P, Gillgunn, S, Hearty, S, Caradoc-Davies, T.T, Llyod, G, O'Kennedy, R.J, Whisstock, J.C. | 登録日 | 2014-03-12 | 公開日 | 2014-04-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Reconciling the structural attributes of avian antibodies. J.Biol.Chem., 289, 2014
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1AIM
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![BU of 1aim by Molmil](/molmil-images/mine/1aim) | |
3C4E
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![BU of 3c4e by Molmil](/molmil-images/mine/3c4e) | |
3C4F
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3C4C
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![BU of 3c4c by Molmil](/molmil-images/mine/3c4c) | B-Raf Kinase in Complex with PLX4720 | 分子名称: | B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | 著者 | Zhang, K.Y.J, Wang, W. | 登録日 | 2008-01-29 | 公開日 | 2008-02-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity Proc.Natl.Acad.Sci.Usa, 105, 2008
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4FK3
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![BU of 4fk3 by Molmil](/molmil-images/mine/4fk3) | B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 | 分子名称: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf | 著者 | Zhang, Y, Wang, W, Zhang, K.Y.J. | 登録日 | 2012-06-12 | 公開日 | 2012-08-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity. Proc.Natl.Acad.Sci.USA, 105, 2008
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