5B30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b30 by Molmil](/molmil-images/mine/5b30) | H-Ras WT in complex with GppNHp (state 1) after structural transition by humidity control | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Kumasaka, T, Miyano, N, Baba, S, Matsumoto, S, Kataoka, T, Shima, F. | Deposit date: | 2016-02-08 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular Mechanism for Conformational Dynamics of Ras-GTP Elucidated from In-Situ Structural Transition in Crystal Sci Rep, 6, 2016
|
|
3NGP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ngp by Molmil](/molmil-images/mine/3ngp) | |
3NMM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nmm by Molmil](/molmil-images/mine/3nmm) | Human Hemoglobin A mutant alpha H58W deoxy-form | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Birukou, I, Soman, J, Olson, J.S. | Deposit date: | 2010-06-22 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Blocking the gate to ligand entry in human hemoglobin. J.Biol.Chem., 286, 2011
|
|
3NAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nax by Molmil](/molmil-images/mine/3nax) | PDK1 in complex with inhibitor MP7 | Descriptor: | 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1 | Authors: | Yan, Y, Munshi, S.K, Allison, T. | Deposit date: | 2010-06-02 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor. J.Biol.Chem., 286, 2011
|
|
3NHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nhz by Molmil](/molmil-images/mine/3nhz) | Structure of N-terminal Domain of MtrA | Descriptor: | MAGNESIUM ION, Two component system transcriptional regulator mtrA | Authors: | Barbieri, C.M, Mack, T.R, Robinson, V.L, Miller, M.T, Stock, A.M. | Deposit date: | 2010-06-14 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of response regulator autophosphorylation through interdomain contacts. J.Biol.Chem., 285, 2010
|
|
5AP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ap0 by Molmil](/molmil-images/mine/5ap0) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 1,2-ETHANEDIOL, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, DIMETHYL SULFOXIDE, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
|
|
5BML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bml by Molmil](/molmil-images/mine/5bml) | ROCK 1 bound to a pyridine thiazole inhibitor | Descriptor: | N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2015-05-22 | Release date: | 2015-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. J.Med.Chem., 58, 2015
|
|
5APR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5apr by Molmil](/molmil-images/mine/5apr) | |
3N7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n7o by Molmil](/molmil-images/mine/3n7o) | X-ray structure of human chymase in complex with small molecule inhibitor. | Descriptor: | (S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | Authors: | Abad, M.C, Kervinen, J, Crysler, C, Bayoumy, S, Spurlino, J, Deckman, I, Greco, M.N, Maryanoff, B.E, Degaravilla, L. | Deposit date: | 2010-05-27 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potency variation of small-molecule chymase inhibitors across species. Biochem. Pharmacol., 80, 2010
|
|
5AV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5av1 by Molmil](/molmil-images/mine/5av1) | |
3NAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nau by Molmil](/molmil-images/mine/3nau) | Crystal structure of ZHX2 HD2 (zinc-fingers and homeoboxes protein 2, homeodomain 2) | Descriptor: | SULFATE ION, Zinc fingers and homeoboxes protein 2 | Authors: | Ren, J, Bird, L.E, Owens, R.J, Stammers, D.K, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-06-02 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains Bmc Struct.Biol., 10, 2010
|
|
5ANK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ank by Molmil](/molmil-images/mine/5ank) | Crystal structure of CDK2 in complex with 2,4,6-trioxo-1-phenyl- hexahydropyrimidine-5-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2 | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
|
|
5AUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aul by Molmil](/molmil-images/mine/5aul) | PI3K p85 C-terminal SH2 domain/CD28-derived peptide complex | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, T-cell-specific surface glycoprotein CD28 | Authors: | Inaba, S, Numoto, N, Morii, H, Ikura, T, Oda, M, Ito, N. | Deposit date: | 2015-04-28 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins J. Biol. Chem., 292, 2017
|
|
5AUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5auu by Molmil](/molmil-images/mine/5auu) | Crystal structure of DAPK1 in complex with luteolin. | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Death-associated protein kinase 1 | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-06-10 | Release date: | 2015-10-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids. J.Med.Chem., 58, 2015
|
|
3NAY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nay by Molmil](/molmil-images/mine/3nay) | PDK1 in complex with inhibitor MP6 | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | Authors: | Yan, Y, Munshi, S.K, Allison, T. | Deposit date: | 2010-06-02 | Release date: | 2010-11-24 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines J.Biol.Chem., 2010
|
|
3NLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nls by Molmil](/molmil-images/mine/3nls) | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 | Descriptor: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Gabelli, S.B, Kawasaki, Y, Freire, E, Amzel, L.M. | Deposit date: | 2010-06-21 | Release date: | 2011-09-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 To be Published
|
|
5AUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5auy by Molmil](/molmil-images/mine/5auy) | Crystal structure of DAPK1 in complex with morin. | Descriptor: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, Death-associated protein kinase 1 | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-06-10 | Release date: | 2015-10-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids. J.Med.Chem., 58, 2015
|
|
3NC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nc6 by Molmil](/molmil-images/mine/3nc6) | CYP134A1 1-phenylimidazole bound structure | Descriptor: | 1-phenyl-1H-imidazole, Cytochrome P450 cypX, MAGNESIUM ION, ... | Authors: | Cryle, M.J, Schlichting, I. | Deposit date: | 2010-06-04 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase. Biochemistry, 49, 2010
|
|
5B28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b28 by Molmil](/molmil-images/mine/5b28) | The 0.90A structure of human FABP3 F16V mutant complexed with palmitic acid | Descriptor: | Fatty acid-binding protein, heart, PALMITIC ACID, ... | Authors: | Matsuoka, D, Sugiyama, S, Kakinouchi, K, Niiyama, M, Murata, M, Matsuoka, S. | Deposit date: | 2016-01-12 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | The 0.90A structure of human FABP3 F16V mutant complexed with palmitic acid. To Be Published
|
|
5B2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b2l by Molmil](/molmil-images/mine/5b2l) | A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL | Authors: | Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T. | Deposit date: | 2016-01-19 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7 Biochem.Biophys.Res.Commun., 473, 2016
|
|
5ARJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5arj by Molmil](/molmil-images/mine/5arj) | |
5AQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqz by Molmil](/molmil-images/mine/5aqz) | HSP72 with adenosine-derived inhibitor | Descriptor: | 1,2-ETHANEDIOL, HEAT SHOCK 70 KDA PROTEIN 1A, SANGIVAMYCIN | Authors: | Cheeseman, M.D, Westwood, I.M, Barbeau, O, Rowlands, M.G, Jones, A.M, Jeganathan, F, Burke, R, Dobson, S.E, Workman, P, Collins, I, van Montfort, R.L.M, Jones, K. | Deposit date: | 2015-09-22 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70. J.Med.Chem., 59, 2016
|
|
5AMY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5amy by Molmil](/molmil-images/mine/5amy) | |
5AUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5auz by Molmil](/molmil-images/mine/5auz) | |
5AQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqw by Molmil](/molmil-images/mine/5aqw) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|