2B55
 
 | |
4AA4
 | | P38ALPHA MAP KINASE BOUND TO CMPD 22 | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2011-11-30 | | 公開日 | 2012-05-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
|
|
1GMY
 | | Cathepsin B complexed with dipeptidyl nitrile inhibitor | | 分子名称: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | | 著者 | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | | 登録日 | 2001-09-25 | | 公開日 | 2002-09-19 | | 最終更新日 | 2017-07-05 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
|
|
2DUV
 | | Structure of CDK2 with a 3-hydroxychromones | | 分子名称: | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE, Cell division protein kinase 2 | | 著者 | Kim, K.H, Lee, J, Park, T, Jeong, S, Hong, C. | | 登録日 | 2006-07-27 | | 公開日 | 2007-01-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 3-Hydroxychromones as cyclin-dependent kinase inhibitors: synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
2DS1
 | | Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor | | 分子名称: | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25 ),18,20-HEPTAENE-23,26-DIONE, Cell division protein kinase 2 | | 著者 | Ikuta, M. | | 登録日 | 2006-06-17 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure
Bioorg.Med.Chem.Lett., 16, 2006
|
|
7ORP
 | | crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide | | 分子名称: | 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2021-06-06 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
|
|
7ORQ
 | |
4G1F
 | | Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, ... | | 著者 | Skene, R.J, Gwaltney, S.L. | | 登録日 | 2012-07-10 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
2BMC
 | | Aurora-2 T287D T288D complexed with PHA-680632 | | 分子名称: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | | 著者 | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | | 登録日 | 2005-03-11 | | 公開日 | 2005-03-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48, 2005
|
|
6OQI
 | | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | | 分子名称: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | | 著者 | Murray, J.M. | | 登録日 | 2019-04-26 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
2C6E
 | | Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor | | 分子名称: | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | | 著者 | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | | 登録日 | 2005-11-09 | | 公開日 | 2006-01-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
2C6D
 | | Aurora A kinase activated mutant (T287D) in complex with ADPNP | | 分子名称: | GLYCEROL, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | | 登録日 | 2005-11-09 | | 公開日 | 2006-01-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
1RWQ
 | | Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE, Dipeptidyl peptidase IV | | 著者 | Hennig, M, Thoma, R, Stihle, M. | | 登録日 | 2003-12-17 | | 公開日 | 2004-12-17 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Aminomethylpyrimidines as novel DPP-IV inhibitors: a 10(5)-fold activity increase by optimization of aromatic substituents
Bioorg.Med.Chem.Lett., 14, 2004
|
|
2HHA
 | | The structure of DPP4 in complex with an oxadiazole inhibitor | | 分子名称: | (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Scapin, G. | | 登録日 | 2006-06-28 | | 公開日 | 2006-09-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
8QEZ
 | | Crystal structure of the AMPA receptor GluA2-L504Y-N775S ligand binding domain in complex with L-glutamate and positive allosteric modulator BPAM395 at 1.55A resolution | | 分子名称: | 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ... | | 著者 | Dorosz, J, Laulumaa, S, Frydenvang, K, Kastrup, J.S. | | 登録日 | 2023-09-01 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Exploring thienothiadiazine dioxides as isosteric analogues of benzo- and pyridothiadiazine dioxides in the search of new AMPA and kainate receptor positive allosteric modulators.
Eur.J.Med.Chem., 264, 2023
|
|
8A21
 | |
1CNW
 | |
1LD8
 | | Co-crystal structure of Human Farnesyltransferase with farnesyldiphosphate and inhibitor compound 49 | | 分子名称: | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRI AZA-CYCLOOCTADECOSINE-9-CARBONITRILE, ACETIC ACID, FARNESYL DIPHOSPHATE, ... | | 著者 | Taylor, J.S, Terry, K.L, Beese, L.S. | | 登録日 | 2002-04-08 | | 公開日 | 2002-06-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency.
J.Med.Chem., 45, 2002
|
|
1LD7
 | | Co-crystal structure of Human Farnesyltransferase with farnesyldiphosphate and inhibitor compound 66 | | 分子名称: | (20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIA ZACYCLONOADECOSINE-9-CARBONITRILE, FARNESYL DIPHOSPHATE, ZINC ION, ... | | 著者 | Taylor, J.S, Terry, K.L, Beese, L.S. | | 登録日 | 2002-04-08 | | 公開日 | 2002-06-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency.
J.Med.Chem., 45, 2002
|
|
2QJR
 | | dipepdyl peptidase IV in complex with inhibitor PZF | | 分子名称: | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)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 | Shenping, L. | | 登録日 | 2007-07-09 | | 公開日 | 2008-07-29 | | 最終更新日 | 2022-04-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | (3R,4S)-4-(2,4,5-Trifluorophenyl)-pyrrolidin-3-ylamine inhibitors of dipeptidyl peptidase IV: synthesis, in vitro, in vivo, and X-ray crystallographic characterization.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
2F3Q
 | |
2F3P
 | |
2F3U
 | |
4PJD
 | | Structure of human MR1-5-OP-RU in complex with human MAIT C-C10 TCR | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2014-05-12 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
|
|
4PJC
 | | Structure of human MR1-5-OP-RU in complex with human MAIT C-A11 TCR | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2014-05-12 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
|
|
