2BTR
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![BU of 2btr by Molmil](/molmil-images/mine/2btr) | STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873 | 分子名称: | CELL DIVISION PROTEIN KINASE 2, N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE | 著者 | Vulpetti, A, Casale, E, Roletto, F, Amici, R, Villa, M, Pevarello, P. | 登録日 | 2005-06-06 | 公開日 | 2005-11-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors. J.Mol.Graph.Model., 24, 2006
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3TEI
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2BIL
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![BU of 2bil by Molmil](/molmil-images/mine/2bil) | The human protein kinase Pim1 in complex with its consensus peptide Pimtide | 分子名称: | 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CONSENSUS PIM1 PEPTIDE PIMTIDE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | 著者 | Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K. | 登録日 | 2005-01-22 | 公開日 | 2005-02-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The Human Protein Kinase Pim1 in Complex with its Consensus Peptide Pimtide To be Published
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1XDG
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![BU of 1xdg by Molmil](/molmil-images/mine/1xdg) | X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution | 分子名称: | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3 ,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION | 著者 | Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J. | 登録日 | 2004-09-06 | 公開日 | 2004-09-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo J.Biol.Chem., 279, 2004
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2BN1
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1XMJ
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![BU of 1xmj by Molmil](/molmil-images/mine/1xmj) | Crystal structure of human deltaF508 human NBD1 domain with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX | 登録日 | 2004-10-02 | 公開日 | 2004-11-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure J.Biol.Chem., 280, 2005
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1H02
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![BU of 1h02 by Molmil](/molmil-images/mine/1h02) | Human Insulin-like growth factor; SRS Daresbury data | 分子名称: | INSULIN-LIKE GROWTH FACTOR I, N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE | 著者 | Brzozowski, A.M, Dodson, E.J, Dodson, G.G, Murshudov, G, Verma, C, Turkenburg, J.P, De Bree, F.M, Dauter, Z. | 登録日 | 2002-06-11 | 公開日 | 2002-07-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Origins of the Functional Divergence of Human Insulin-Like Growth Factor-I and Insulin Biochemistry, 41, 2002
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2BUP
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![BU of 2bup by Molmil](/molmil-images/mine/2bup) | T13G Mutant of the ATPASE fragment of Bovine HSC70 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | 著者 | Sousa, M.C, Mckay, D.B. | 登録日 | 1998-09-08 | 公開日 | 1998-09-16 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The hydroxyl of threonine 13 of the bovine 70-kDa heat shock cognate protein is essential for transducing the ATP-induced conformational change. Biochemistry, 37, 1998
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1XF9
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![BU of 1xf9 by Molmil](/molmil-images/mine/1xf9) | Structure of NBD1 from murine CFTR- F508S mutant | 分子名称: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | 著者 | Thibodeau, P.H, Brautigam, C.A, Machius, M, Thomas, P.J. | 登録日 | 2004-09-14 | 公開日 | 2004-12-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Side chain and backbone contributions of Phe508 to CFTR folding. Nat.Struct.Mol.Biol., 12, 2005
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1XL5
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![BU of 1xl5 by Molmil](/molmil-images/mine/1xl5) | HIV-1 Protease in complex with amidhyroxysulfone | 分子名称: | CHLORIDE ION, N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE, PROTEASE RETROPEPSIN | 著者 | Boettcher, J, Specker, E, Heine, A, Klebe, G. | 登録日 | 2004-09-30 | 公開日 | 2005-06-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors Angew.Chem.Int.Ed.Engl., 44, 2005
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2XNO
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![BU of 2xno by Molmil](/molmil-images/mine/2xno) | Structure of Nek2 bound to CCT243779 | 分子名称: | 1,2-ETHANEDIOL, 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide, CHLORIDE ION, ... | 著者 | Mas-Droux, C, Bayliss, R. | 登録日 | 2010-08-05 | 公開日 | 2011-03-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
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2XIZ
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![BU of 2xiz by Molmil](/molmil-images/mine/2xiz) | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | 分子名称: | (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | 登録日 | 2010-07-01 | 公開日 | 2011-02-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1HEY
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1HBH
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1XMI
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![BU of 1xmi by Molmil](/molmil-images/mine/1xmi) | Crystal structure of human F508A NBD1 domain with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX | 登録日 | 2004-10-02 | 公開日 | 2004-11-09 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure J.Biol.Chem., 280, 2005
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1XGR
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![BU of 1xgr by Molmil](/molmil-images/mine/1xgr) | Structure for antibody HyHEL-63 Y33I mutant complexed with hen egg lysozyme | 分子名称: | Lysozyme C, antibody kappa heavy chain, antibody kappa light chain | 著者 | Li, Y, Huang, Y, Swaminathan, C.P, Smith-Gill, S.J, Mariuzza, R.A. | 登録日 | 2004-09-17 | 公開日 | 2005-09-06 | 最終更新日 | 2013-10-02 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Magnitude of the hydrophobic effect at central versus peripheral sites in protein-protein interfaces Structure, 13, 2005
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2BIY
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![BU of 2biy by Molmil](/molmil-images/mine/2biy) | Structure of PDK1-S241A mutant kinase domain | 分子名称: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | 著者 | Komander, D, Kular, G.S, Deak, M, Alessi, D.R, van Aalten, D.M.F. | 登録日 | 2005-01-26 | 公開日 | 2005-02-23 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding. J. Biol. Chem., 280, 2005
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1GVZ
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![BU of 1gvz by Molmil](/molmil-images/mine/1gvz) | Prostate Specific Antigen (PSA) from stallion seminal plasma | 分子名称: | ACETATE ION, GLYCEROL, KALLIKREIN-1E2 | 著者 | Carvalho, A.L, Sanz, L, Barettino, D, Romero, A, Calvete, J.J, Romao, M.J. | 登録日 | 2002-02-28 | 公開日 | 2002-09-12 | 最終更新日 | 2011-09-21 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Crystal Structure of a Prostate Kallikrein Isolated from Stallion Seminal Plasma: A Homologue of Human Psa J.Mol.Biol., 322, 2002
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1XN2
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![BU of 1xn2 by Molmil](/molmil-images/mine/1xn2) | New substrate binding pockets for beta-secretase. | 分子名称: | Beta-secretase 1, OM03-4 | 著者 | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | 登録日 | 2004-10-04 | 公開日 | 2005-03-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase). Biochemistry, 44, 2005
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3GCP
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![BU of 3gcp by Molmil](/molmil-images/mine/3gcp) | Human P38 MAP Kinase in Complex with SB203580 | 分子名称: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | 登録日 | 2009-02-22 | 公開日 | 2009-06-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009
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2BRG
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![BU of 2brg by Molmil](/molmil-images/mine/2brg) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | 分子名称: | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | 登録日 | 2005-05-05 | 公開日 | 2005-05-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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1GX8
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2RSV
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2BR1
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![BU of 2br1 by Molmil](/molmil-images/mine/2br1) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | 分子名称: | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | 著者 | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | 登録日 | 2005-04-29 | 公開日 | 2005-05-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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2BRM
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![BU of 2brm by Molmil](/molmil-images/mine/2brm) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | 分子名称: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | 登録日 | 2005-05-09 | 公開日 | 2005-05-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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