5NGU
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-20 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
5NHH
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-21 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
5NHO
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-22 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
5NHV
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-22 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
6KVE
| |
3MTE
| |
5NHL
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-21 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
5NHF
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-21 | 公開日 | 2017-04-19 | 最終更新日 | 2017-05-10 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
5NHJ
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-21 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
5NHP
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-22 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
7Z3U
| Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-02 | 公開日 | 2023-03-22 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
|
|
7Z58
| Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | 分子名称: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-08 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
|
|
7Z3T
| Crystal structure of apo human Cathepsin L | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-02 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
|
|
1STS
| STREPTAVIDIN DIMERIZED BY DISULFIDE-BONDED PEPTIDE FCHPQNT-NH2 DIMER | 分子名称: | FCHPQNT-NH2, STREPTAVIDIN | 著者 | Katz, B.A, Cass, R.T, Liu, B, Arze, R, Collins, N. | 登録日 | 1995-09-12 | 公開日 | 1996-03-08 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Topochemical catalysis achieved by structure-based ligand design. J.Biol.Chem., 270, 1995
|
|
1STR
| STREPTAVIDIN DIMERIZED BY DISULFIDE-BONDED PEPTIDE AC-CHPQNT-NH2 DIMER | 分子名称: | AC-CHPQNT-NH2, STREPTAVIDIN | 著者 | Katz, B.A, Cass, R.T, Liu, B, Arze, R, Collins, N. | 登録日 | 1995-09-12 | 公開日 | 1996-03-08 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Topochemical catalysis achieved by structure-based ligand design. J.Biol.Chem., 270, 1995
|
|
4ZHX
| Novel binding site for allosteric activation of AMPK | 分子名称: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ... | 著者 | Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E. | 登録日 | 2015-04-27 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding. Nat Commun, 7, 2016
|
|
1XNK
| Beta-1,4-xylanase from Chaetomium thermophilum complexed with methyl thioxylopentoside | 分子名称: | 4-thio-beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose-(1-4)-methyl 4-thio-alpha-D-xylopyranoside, SULFATE ION, endoxylanase 11A | 著者 | Hakanpaa, J, Hakulinen, N, Rouvinen, J. | 登録日 | 2004-10-05 | 公開日 | 2005-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Determination of thioxylo-oligosaccharide binding to family 11 xylanases using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and X-ray crystallography FEBS J., 272, 2005
|
|
5OYN
| Crystal structure of D-xylonate dehydratase in holo-form | 分子名称: | Dehydratase, IlvD/Edd family, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Rahman, M.M, Rouvinen, J, Hakulinen, N. | 登録日 | 2017-09-11 | 公開日 | 2018-01-24 | 最終更新日 | 2018-04-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The crystal structure of D-xylonate dehydratase reveals functional features of enzymes from the Ilv/ED dehydratase family. Sci Rep, 8, 2018
|
|
7NO8
| Structure of the mature RSV CA lattice: Group I, pentamer-hexamer interface, class 1"6 | 分子名称: | Capsid protein p27, alternate cleaved 1 | 著者 | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | 登録日 | 2021-02-25 | 公開日 | 2021-04-21 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (7.9 Å) | 主引用文献 | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|
7NOM
| Structure of the mature RSV CA lattice: Group IV, hexamer-hexamer interface, class 4'Beta | 分子名称: | Capsid protein p27, alternate cleaved 1 | 著者 | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | 登録日 | 2021-02-25 | 公開日 | 2021-04-21 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (6.7 Å) | 主引用文献 | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|
7NO1
| Structure of the mature RSV CA lattice: T=3 CA icosahedron | 分子名称: | Capsid protein p27, alternate cleaved 1 | 著者 | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | 登録日 | 2021-02-25 | 公開日 | 2021-04-21 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (7.6 Å) | 主引用文献 | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|
7NOE
| Structure of the mature RSV CA lattice: Group III, hexamer-hexamer interface, class 3'5 | 分子名称: | Capsid protein p27, alternate cleaved 1 | 著者 | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | 登録日 | 2021-02-25 | 公開日 | 2021-04-21 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | 主引用文献 | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|
7NO2
| Structure of the mature RSV CA lattice: hexamer derived from tubes (C2-symmetric) | 分子名称: | Capsid protein p27, alternate cleaved 1 | 著者 | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | 登録日 | 2021-02-25 | 公開日 | 2021-04-21 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|
7NOG
| Structure of the mature RSV CA lattice: Group III, hexamer-hexamer interface, class 4'5 | 分子名称: | Capsid protein p27, alternate cleaved 1 | 著者 | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | 登録日 | 2021-02-25 | 公開日 | 2021-04-21 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | 主引用文献 | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|
7NOD
| Structure of the mature RSV CA lattice: Group III, hexamer-hexamer interface, class 3'4 | 分子名称: | Capsid protein p27, alternate cleaved 1 | 著者 | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | 登録日 | 2021-02-25 | 公開日 | 2021-04-21 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | 主引用文献 | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|