5IOP
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5ETU
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![BU of 5etu by Molmil](/molmil-images/mine/5etu) | Cetuximab Fab in complex with L5E meditope variant | 分子名称: | Cetuximab Fab heavy chain, Cetuximab Fab light chain, L5E meditope variant, ... | 著者 | Bzymek, K.P, Williams, J.C. | 登録日 | 2015-11-18 | 公開日 | 2016-10-26 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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5ITF
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5IV2
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5IVZ
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2MTE
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![BU of 2mte by Molmil](/molmil-images/mine/2mte) | Solution structure of Doc48S | 分子名称: | CALCIUM ION, Cellulose 1,4-beta-cellobiosidase (reducing end) CelS | 著者 | Chen, C, Feng, Y. | 登録日 | 2014-08-18 | 公開日 | 2014-10-15 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Revisiting the NMR solution structure of the Cel48S type-I dockerin module from Clostridium thermocellum reveals a cohesin-primed conformation. J.Struct.Biol., 188, 2014
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5FLY
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![BU of 5fly by Molmil](/molmil-images/mine/5fly) | The FhuD protein from S.pseudintermedius | 分子名称: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, CADMIUM ION, CHLORIDE ION, ... | 著者 | Malito, E. | 登録日 | 2015-10-29 | 公開日 | 2015-12-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | 主引用文献 | Crystal Structure of Fhud at 1.6 Angstrom Resolution: A Ferrichrome-Binding Protein from the Animal and Human Pathogen Staphylococcus Pseudintermedius Acta Crystallogr.,Sect.F, 72, 2016
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5TH2
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![BU of 5th2 by Molmil](/molmil-images/mine/5th2) | Cetuximab Fab in complex with L5Q meditope variant | 分子名称: | L5Q meditope, PHOSPHATE ION, cetuximab Fab, ... | 著者 | Bzymek, K.P, Williams, J.C. | 登録日 | 2016-09-28 | 公開日 | 2016-10-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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1P3C
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![BU of 1p3c by Molmil](/molmil-images/mine/1p3c) | Glutamyl endopeptidase from Bacillus intermedius | 分子名称: | glutamyl-endopeptidase | 著者 | Meijers, R, Blagova, E.V, Levdikov, V.M, Rudenskaya, G.N, Chestukhina, G.G, Akimkina, T.V, Kostrov, S.V, Lamzin, V.S, Kuranova, I.P. | 登録日 | 2003-04-17 | 公開日 | 2004-04-27 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The crystal structure of glutamyl endopeptidase from Bacillus intermedius reveals a structural link between zymogen activation and charge compensation. Biochemistry, 43, 2004
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5L8Q
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![BU of 5l8q by Molmil](/molmil-images/mine/5l8q) | Structure of deformed wing virus, a honeybee pathogen | 分子名称: | URIDINE-5'-MONOPHOSPHATE, VP1, VP2, ... | 著者 | Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P. | 登録日 | 2016-06-08 | 公開日 | 2017-03-29 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of deformed wing virus, a major honey bee pathogen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4OXR
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![BU of 4oxr by Molmil](/molmil-images/mine/4oxr) | Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Manganese | 分子名称: | MANGANESE (II) ION, Manganese ABC transporter, periplasmic-binding protein SitA | 著者 | Abate, F, Malito, E, Bottomley, M. | 登録日 | 2014-02-06 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius. Biosci.Rep., 34, 2014
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4OXQ
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![BU of 4oxq by Molmil](/molmil-images/mine/4oxq) | Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Zinc | 分子名称: | Manganese ABC transporter, periplasmic-binding protein SitA, ZINC ION | 著者 | Abate, F, Malito, E, Bottomley, M. | 登録日 | 2014-02-06 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius. Biosci.Rep., 34, 2014
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4IS4
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3BB7
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![BU of 3bb7 by Molmil](/molmil-images/mine/3bb7) | Structure of Prevotella intermedia prointerpain A fragment 39-359 (mutant C154A) | 分子名称: | interpain A | 著者 | Mallorqui-Fernandez, N, Manandhar, S.P, Mallorqui-Fernandez, G, Uson, I, Wawrzonek, K, Kantyka, T, Sola, M, Thogersen, I.B, Enghild, J.J, Potempa, J, Gomis-Ruth, F.X. | 登録日 | 2007-11-09 | 公開日 | 2007-11-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A New Autocatalytic Activation Mechanism for Cysteine Proteases Revealed by Prevotella intermedia Interpain A J.Biol.Chem., 283, 2008
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2NOR
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4URW
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![BU of 4urw by Molmil](/molmil-images/mine/4urw) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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1MZC
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![BU of 1mzc by Molmil](/molmil-images/mine/1mzc) | Co-Crystal Structure Of Human Farnesyltransferase With Farnesyldiphosphate and Inhibitor Compound 33a | 分子名称: | 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE, FARNESYL DIPHOSPHATE, Protein Farnesyltransferase alpha Subunit, ... | 著者 | deSolms, S.J, Ciccarone, T.M, MacTough, S.C, Shaw, A.W, Buser, C.A, Ellis-Hutchings, M, Fernandes, C, Hamilton, K.A, Huber, H.E, Kohl, N.E, Lobell, R.B, Robinson, R.G, Tsou, N.N, Walsh, E.S, Graham, S.L, Beese, L.S, Taylor, J.S. | 登録日 | 2002-10-07 | 公開日 | 2003-07-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dual Protein Farnesyltransferase-Geranylgeranyltransferase-I Inhibitors as Potential Cancer Chemotherapeutic Agents. J.Med.Chem., 46, 2003
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1VYW
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![BU of 1vyw by Molmil](/molmil-images/mine/1vyw) | Structure of CDK2/Cyclin A with PNU-292137 | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE, ... | 著者 | Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, P, Martina, K, Fritzen, E.L, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, A, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A. | 登録日 | 2004-05-07 | 公開日 | 2004-06-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding J.Med.Chem., 47, 2004
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1W8C
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1VYZ
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![BU of 1vyz by Molmil](/molmil-images/mine/1vyz) | Structure of CDK2 complexed with PNU-181227 | 分子名称: | CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE | 著者 | Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A. | 登録日 | 2004-05-07 | 公開日 | 2004-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | 3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding J.Med.Chem., 47, 2004
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1MU8
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![BU of 1mu8 by Molmil](/molmil-images/mine/1mu8) | thrombin-hirugen_l-378,650 | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | 登録日 | 2002-09-23 | 公開日 | 2004-04-06 | 最終更新日 | 2021-07-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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1MUE
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![BU of 1mue by Molmil](/molmil-images/mine/1mue) | Thrombin-Hirugen-L405,426 | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | 登録日 | 2002-09-23 | 公開日 | 2004-04-06 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Bioorg.Med.Chem.Lett., 13, 2003
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1MU6
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![BU of 1mu6 by Molmil](/molmil-images/mine/1mu6) | Crystal Structure of Thrombin in Complex with L-378,622 | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | 登録日 | 2002-09-23 | 公開日 | 2004-04-06 | 最終更新日 | 2021-07-21 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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2RIP
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![BU of 2rip by Molmil](/molmil-images/mine/2rip) | Structure of DPPIV in complex with an inhibitor | 分子名称: | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Qiu, X. | 登録日 | 2007-10-12 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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1WAY
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![BU of 1way by Molmil](/molmil-images/mine/1way) | Active site thrombin inhibitors | 分子名称: | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE, DIMETHYL SULFOXIDE, HIRUGEN, ... | 著者 | Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H. | 登録日 | 2004-10-28 | 公開日 | 2005-01-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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