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5IOP
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Cetuximab Fab in complex with 4-bromophenylalanine meditope variant
分子名称: Cetuximab Fab, heavy chain, light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-03-08
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.499 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
5ETU
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BU of 5etu by Molmil
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
5ITF
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BU of 5itf by Molmil
Cetuximab Fab in complex with 2-bromophenylalanine meditope variant
分子名称: Cetuximab Fab, heavy chain, light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-03-16
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.51 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
5IV2
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BU of 5iv2 by Molmil
Cetuximab Fab in complex with Arg9Cir meditope variant
分子名称: Cetuximab Fab, heavy chain, light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-03-18
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.481 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
5IVZ
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BU of 5ivz by Molmil
Cetuximab Fab in complex with Arg8Cir meditope variant
分子名称: Cetuximab Fab, heavy chain, light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-03-21
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.48 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
2MTE
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BU of 2mte by Molmil
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
5FLY
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BU of 5fly by Molmil
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
5TH2
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BU of 5th2 by Molmil
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
1P3C
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BU of 1p3c by Molmil
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
5L8Q
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BU of 5l8q by Molmil
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
4OXR
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BU of 4oxr by Molmil
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
4OXQ
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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
4IS4
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BU of 4is4 by Molmil
The glutamine synthetase from the dicotyledonous plant M. truncatula is a decamer
分子名称: Glutamine synthetase
著者Seabra, A.R, Carvalho, H, Pereira, P.J.B.
登録日2013-01-16
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structures of cytosolic and plastid-located glutamine synthetases from Medicago truncatula reveal a common and dynamic architecture.
Acta Crystallogr.,Sect.D, 70, 2014
3BB7
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BU of 3bb7 by Molmil
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
2NOR
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BU of 2nor by Molmil
Solution structure of NK1 agonist Phyllomedusin bound to DPC micelles
分子名称: Phyllomedusin
著者Dike, A, Cowsik, S.M.
登録日2006-10-26
公開日2007-11-06
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of NK1 agonist Phyllomedusin bound to DPC micelles
To be Published
4URW
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BU of 4urw by Molmil
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
1MZC
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BU of 1mzc by Molmil
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
1VYW
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BU of 1vyw by Molmil
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
1W8C
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BU of 1w8c by Molmil
CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2
分子名称: 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2
著者Pratt, D.J, Endicott, J.A, Noble, M.E.M.
登録日2004-09-20
公開日2006-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
1VYZ
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BU of 1vyz by Molmil
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
1MU8
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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
1MUE
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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
1MU6
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BU of 1mu6 by Molmil
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
2RIP
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BU of 2rip by Molmil
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
1WAY
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BU of 1way by Molmil
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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