3TG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tg1 by Molmil](/molmil-images/mine/3tg1) | |
3U8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u8w by Molmil](/molmil-images/mine/3u8w) | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor | Descriptor: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | Authors: | Mohr, C, Jordan, S. | Deposit date: | 2011-10-17 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of triazolopyridazinones as potent p38alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
6OF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6of8 by Molmil](/molmil-images/mine/6of8) | Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CamKII-alpha hub domain | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, POTASSIUM ION | Authors: | McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J. | Deposit date: | 2019-03-28 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Variation in assembly stoichiometry in non-metazoan homologs of the hub domain of Ca2+/calmodulin-dependent protein kinase II. Protein Sci., 28, 2019
|
|
6NBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nby by Molmil](/molmil-images/mine/6nby) | T.elongatus NDH (composite model) | Descriptor: | IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 1, ... | Authors: | Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M. | Deposit date: | 2018-12-10 | Release date: | 2019-02-27 | Last modified: | 2020-04-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the complex I-like molecule NDH of oxygenic photosynthesis. Nature, 566, 2019
|
|
6OF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6of9 by Molmil](/molmil-images/mine/6of9) | |
6EJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ej0 by Molmil](/molmil-images/mine/6ej0) | Crystal structure of KDM5B in complex with KDOPZ000049a. | Descriptor: | 1,2-ETHANEDIOL, 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-19 | Release date: | 2018-05-02 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structure of KDM5B in complex with KDOPZ000049a. to be published
|
|
1JRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jri by Molmil](/molmil-images/mine/1jri) | |
3UVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uvp by Molmil](/molmil-images/mine/3uvp) | Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | Descriptor: | Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside | Authors: | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | Deposit date: | 2011-11-30 | Release date: | 2012-11-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors. J.Med.Chem., 55, 2012
|
|
6EJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ej1 by Molmil](/molmil-images/mine/6ej1) | Crystal structure of KDM5B in complex with KDOPZ48a. | Descriptor: | 1,2-ETHANEDIOL, 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-19 | Release date: | 2018-05-02 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure of KDM5B in complex with KDOPZ48a. to be published
|
|
1KFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kfw by Molmil](/molmil-images/mine/1kfw) | |
3TGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tgu by Molmil](/molmil-images/mine/3tgu) | Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ... | Authors: | Huang, L.-S, Yang, G.-F, Berry, E.A. | Deposit date: | 2011-08-17 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex. J.Am.Chem.Soc., 134, 2012
|
|
3UA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ua1 by Molmil](/molmil-images/mine/3ua1) | |
1KYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kyo by Molmil](/molmil-images/mine/1kyo) | |
1LEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lew by Molmil](/molmil-images/mine/1lew) | CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS NUCLEAR SUBSTRATE MEF2A | Descriptor: | Mitogen-activated protein kinase 14, Myocyte-specific enhancer factor 2A | Authors: | Chang, C.-I, Xu, B.-E, Akella, R, Cobb, M.H, Goldsmith, E.J. | Deposit date: | 2002-04-10 | Release date: | 2002-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of MAP kinase p38 complexed to the docking sites on its nuclear substrate MEF2A and activator MKK3b. Mol.Cell, 9, 2002
|
|
1LNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lnx by Molmil](/molmil-images/mine/1lnx) | Crystal structure of the P.aerophilum SmAP1 heptamer in a new crystal form (C2221) | Descriptor: | ACETIC ACID, GLYCEROL, URIDINE, ... | Authors: | Mura, C, Kozhukhovsky, A, Eisenberg, D. | Deposit date: | 2002-05-04 | Release date: | 2003-03-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The oligomerization and ligand-binding properties of Sm-like archaeal proteins (SmAPs) Protein Sci., 12, 2003
|
|
3WXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wxr by Molmil](/molmil-images/mine/3wxr) | Yeast 20S proteasome with a mutation of alpha7 subunit | Descriptor: | Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Yashiroda, H, Toda, Y, Otsu, S, Takagi, K, Mizushima, T, Murata, S. | Deposit date: | 2014-08-06 | Release date: | 2014-10-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | N-terminal alpha 7 deletion of the proteasome 20S core particle substitutes for yeast PI31 function Mol.Cell.Biol., 35, 2015
|
|
3UVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uvq by Molmil](/molmil-images/mine/3uvq) | Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative | Descriptor: | Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside | Authors: | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | Deposit date: | 2011-11-30 | Release date: | 2012-12-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity. J.Med.Chem., 56, 2013
|
|
6IIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iil by Molmil](/molmil-images/mine/6iil) | USP14 catalytic domain bind to IU1-47 | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W. | Deposit date: | 2018-10-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
|
|
8H65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h65 by Molmil](/molmil-images/mine/8h65) | |
2LGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lgc by Molmil](/molmil-images/mine/2lgc) | |
8PPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ppq by Molmil](/molmil-images/mine/8ppq) | Tick-borne encephalitis virus Kuutsalo-14 prM3E3 trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Protein prM | Authors: | Anastasina, M, Domanska, A, Pulkkinen, L.I.A, Butcher, S.J. | Deposit date: | 2023-07-07 | Release date: | 2024-06-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The structure of immature tick-borne encephalitis virus supports the collapse model of flavivirus maturation. Sci Adv, 10, 2024
|
|
8H82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h82 by Molmil](/molmil-images/mine/8h82) | Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Lin, M, Liu, X. | Deposit date: | 2022-10-21 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
|
|
8HBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hbj by Molmil](/molmil-images/mine/8hbj) | cocktail of FMDV (A/TUR/14/98) in complex with M678F and M688F | Descriptor: | M678F nab, M688F nab, VP1 of capsid protein, ... | Authors: | Li, H.Z, Dong, H, Liu, P. | Deposit date: | 2022-10-28 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and in vivo studies of neutralizing antibody topographical classifications reveal mechanisms underlying differences in immunogenicity and antigenicity between 146S and 12S of foot-and-mouth disease virus To Be Published
|
|
8HBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hbg by Molmil](/molmil-images/mine/8hbg) | FMDV (A/TUR/14/98) in complex with M678F | Descriptor: | M678F nab, VP1 of capsid protein, VP2 of capsid protein, ... | Authors: | Li, H.Z, Dong, H, Liu, P. | Deposit date: | 2022-10-28 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural and in vivo studies of neutralizing antibody topographical classifications reveal mechanisms underlying differences in immunogenicity and antigenicity between 146S and 12S of foot-and-mouth disease virus To Be Published
|
|
7TXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7txh by Molmil](/molmil-images/mine/7txh) | Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca | Descriptor: | GLYCEROL, Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, ... | Authors: | Hauseman, Z.J, Viscomi, J, Dhembi, A, Clark, K, King, D.A, Fodor, M. | Deposit date: | 2022-02-09 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the MRAS-SHOC2-PP1C phosphatase complex. Nature, 609, 2022
|
|