4MAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mao by Molmil](/molmil-images/mine/4mao) | RSK2 T493M C-Terminal Kinase Domain in Complex with RMM58 | 分子名称: | (2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile, Ribosomal protein S6 kinase alpha-3, SODIUM ION | 著者 | Miller, R.M, Taunton, J. | 登録日 | 2013-08-16 | 公開日 | 2014-10-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysis. J.Am.Chem.Soc., 136, 2014
|
|
5LXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lxc by Molmil](/molmil-images/mine/5lxc) | Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) | 分子名称: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | 著者 | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-20 | 公開日 | 2016-10-26 | 最終更新日 | 2017-01-11 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases. J. Med. Chem., 59, 2016
|
|
5LYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lyo by Molmil](/molmil-images/mine/5lyo) | |
2VR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vr8 by Molmil](/molmil-images/mine/2vr8) | Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.36 A resolution | 分子名称: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | 著者 | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | 登録日 | 2008-03-28 | 公開日 | 2008-04-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
|
|
2VYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vyy by Molmil](/molmil-images/mine/2vyy) | Mutant Ala55Trp of Cerebratuls lacteus mini-hemoglobin | 分子名称: | GLYCEROL, NEURAL HEMOGLOBIN, OXYGEN MOLECULE, ... | 著者 | Salter, M.D, Nienhaus, K, Nienhaus, G.U, Dewilde, S, Moens, L, Pesce, A, Nardini, M, Bolognesi, M, Olson, J.S. | 登録日 | 2008-07-29 | 公開日 | 2008-10-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Apolar Channel in Cerebratulus Lacteus Hemoglobin is the Route for O2 Entry and Exit. J.Biol.Chem., 283, 2008
|
|
5M3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m3s by Molmil](/molmil-images/mine/5m3s) | Low-dose fixed target serial synchrotron crystallography structure of Metmyoglobin | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Axford, D, Owen, R.L, Sherrell, D, Muller-Werkmeister, H. | 登録日 | 2016-10-17 | 公開日 | 2016-12-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Low-dose fixed-target serial synchrotron crystallography. Acta Crystallogr D Struct Biol, 73, 2017
|
|
5LCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lcr by Molmil](/molmil-images/mine/5lcr) | |
4M1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m1o by Molmil](/molmil-images/mine/4m1o) | Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide | 著者 | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | 登録日 | 2013-08-03 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.571 Å) | 主引用文献 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
|
|
4CIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cio by Molmil](/molmil-images/mine/4cio) | |
4CHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cha by Molmil](/molmil-images/mine/4cha) | |
4DBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dbr by Molmil](/molmil-images/mine/4dbr) | Myosin VI D179Y (MD) pre-powerstroke state | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Pylypenko, O, Sweeney, H.L, Houdusse, A. | 登録日 | 2012-01-16 | 公開日 | 2013-01-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating To be Published
|
|
4DED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ded by Molmil](/molmil-images/mine/4ded) | Aurora A in complex with YL1-038-21 | 分子名称: | 1,2-ETHANEDIOL, 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide, Aurora kinase A | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2012-01-20 | 公開日 | 2012-08-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
|
|
2W2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w2x by Molmil](/molmil-images/mine/2w2x) | Complex of Rac2 and PLCg2 spPH Domain | 分子名称: | 1-PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE PHOSPHODIESTERASE GAMMA-2, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, ... | 著者 | Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H. | 登録日 | 2008-11-04 | 公開日 | 2009-05-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2. Mol.Cell, 34, 2009
|
|
2W7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w7u by Molmil](/molmil-images/mine/2w7u) | SplA serine protease of Staphylococcus aureus (2.4A) | 分子名称: | SERINE PROTEASE SPLA | 著者 | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | 登録日 | 2008-12-30 | 公開日 | 2010-03-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus. Biochem.J., 419, 2009
|
|
4DPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dpi by Molmil](/molmil-images/mine/4dpi) | BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | 分子名称: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | 登録日 | 2012-02-13 | 公開日 | 2012-07-11 | 最終更新日 | 2013-01-02 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
|
|
4DG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dg3 by Molmil](/molmil-images/mine/4dg3) | |
4DH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dh5 by Molmil](/molmil-images/mine/4dh5) | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ADP, Phosphate, and IP20 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2012-01-27 | 公開日 | 2012-06-27 | 最終更新日 | 2013-01-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012
|
|
4DJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dj5 by Molmil](/molmil-images/mine/4dj5) | |
4DUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dus by Molmil](/molmil-images/mine/4dus) | Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | 著者 | Sickmier, E.A. | 登録日 | 2012-02-22 | 公開日 | 2012-10-10 | 最終更新日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase. ACS Med Chem Lett, 3, 2012
|
|
4DLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dlx by Molmil](/molmil-images/mine/4dlx) | H-Ras Set 1 CaCl2/DTE, ordered off | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ... | 著者 | Holzapfel, G, Mattos, C. | 登録日 | 2012-02-06 | 公開日 | 2012-08-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.731 Å) | 主引用文献 | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
|
|
4DD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dd1 by Molmil](/molmil-images/mine/4dd1) | EVAL processed HEWL, cisplatin aqueous paratone | 分子名称: | 2-methylprop-1-ene, Lysozyme C | 著者 | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | 登録日 | 2012-01-18 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
|
|
4DAW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4daw by Molmil](/molmil-images/mine/4daw) | Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex | 分子名称: | Serine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium | 著者 | Maksimoska, J, Marmorstein, R. | 登録日 | 2012-01-13 | 公開日 | 2012-03-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The art of filling protein pockets efficiently with octahedral metal complexes. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
4DDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dda by Molmil](/molmil-images/mine/4dda) | EVAL processed HEWL, NAG | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C | 著者 | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | 登録日 | 2012-01-18 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
|
|
4DJP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4djp by Molmil](/molmil-images/mine/4djp) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP73 | 分子名称: | PHOSPHATE ION, Pol polyprotein, methyl (2S)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2012-02-02 | 公開日 | 2012-08-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
|
|
4DJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4djr by Molmil](/molmil-images/mine/4djr) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP97 | 分子名称: | PHOSPHATE ION, Pol polyprotein, [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | 著者 | Schiffer, C.A, Nalam, M.N.L. | 登録日 | 2012-02-02 | 公開日 | 2012-08-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
|
|