7LVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lvi by Molmil](/molmil-images/mine/7lvi) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
|
|
7LVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lvh by Molmil](/molmil-images/mine/7lvh) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE | Descriptor: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2021-02-25 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
|
|
7Y8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y8m by Molmil](/molmil-images/mine/7y8m) | Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
|
|
7VQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vq6 by Molmil](/molmil-images/mine/7vq6) | Structure of a specialized glyoxalase from Gossypium hirsutum | Descriptor: | Lactoylglutathione lyase, NICKEL (II) ION | Authors: | Li, H, Hu, Y.M, Dai, L.H, Chen, C.C, Huang, J.W, Liu, W.D, Guo, R.T. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal structure and biochemical analysis of the specialized deoxynivalenol-detoxifying glyoxalase SPG from Gossypium hirsutum. Int.J.Biol.Macromol., 200, 2022
|
|
2KHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kho by Molmil](/molmil-images/mine/2kho) | |
3RZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rz2 by Molmil](/molmil-images/mine/3rz2) | Crystal of Prl-1 complexed with peptide | Descriptor: | Prl-1 (PTP4A1), Protein tyrosine phosphatase type IVA 1 | Authors: | Zhang, Z.-Y, Liu, D, Bai, Y. | Deposit date: | 2011-05-11 | Release date: | 2011-10-26 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | PRL-1 protein promotes ERK1/2 and RhoA protein activation through a non-canonical interaction with the Src homology 3 domain of p115 Rho GTPase-activating protein. J.Biol.Chem., 286, 2011
|
|
3ROM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rom by Molmil](/molmil-images/mine/3rom) | |
4ONA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ona by Molmil](/molmil-images/mine/4ona) | |
4MX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mx9 by Molmil](/molmil-images/mine/4mx9) | CDPK1 from Neospora caninum in complex with inhibitor UW1294 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
|
|
4JBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jbv by Molmil](/molmil-images/mine/4jbv) | |
2O8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o8a by Molmil](/molmil-images/mine/2o8a) | rat PP1cgamma complexed with mouse inhibitor-2 | Descriptor: | Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | Authors: | Hurley, T.D. | Deposit date: | 2006-12-12 | Release date: | 2007-07-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural basis for regulation of protein phosphatase 1 by inhibitor-2. J.Biol.Chem., 282, 2007
|
|
2O8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o8g by Molmil](/molmil-images/mine/2o8g) | Rat pp1c gamma complexed with mouse inhibitor-2 | Descriptor: | MANGANESE (II) ION, Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | Authors: | Hurley, T.D. | Deposit date: | 2006-12-12 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for regulation of protein phosphatase 1 by inhibitor-2. J.Biol.Chem., 282, 2007
|
|
7WL3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wl3 by Molmil](/molmil-images/mine/7wl3) | CVB5 expended empty particle | Descriptor: | Capsid protein, Genome polyprotein | Authors: | Yang, P, Wang, K. | Deposit date: | 2022-01-12 | Release date: | 2022-03-30 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Atomic Structures of Coxsackievirus B5 Provide Key Information on Viral Evolution and Survival. J.Virol., 96, 2022
|
|
6J11
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j11 by Molmil](/molmil-images/mine/6j11) | MERS-CoV spike N-terminal domain and 7D10 scFv complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-terminal domain of Spike glycoprotein, ... | Authors: | Zhou, H, Zhang, S, Zhang, S, Tang, W, Wang, X. | Deposit date: | 2018-12-27 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural definition of a neutralization epitope on the N-terminal domain of MERS-CoV spike glycoprotein. Nat Commun, 10, 2019
|
|
2KNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2knp by Molmil](/molmil-images/mine/2knp) | |
6K7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k7y by Molmil](/molmil-images/mine/6k7y) | Intact human mitochondrial calcium uniporter complex with MICU1/MICU2 subunits | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ... | Authors: | Zhuo, W, Zhou, H, Yang, M. | Deposit date: | 2019-06-10 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of intact human MCU supercomplex with the auxiliary MICU subunits. Protein Cell, 12, 2021
|
|
4IGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4igh by Molmil](/molmil-images/mine/4igh) | High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog | Descriptor: | 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K. | Deposit date: | 2012-12-17 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity. ACS MED.CHEM.LETT., 4, 2013
|
|
6K7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k7x by Molmil](/molmil-images/mine/6k7x) | Human MCU-EMRE complex | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ... | Authors: | Zhuo, W, Zhou, H, Yang, M. | Deposit date: | 2019-06-10 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structure of intact human MCU supercomplex with the auxiliary MICU subunits. Protein Cell, 12, 2021
|
|
4M84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m84 by Molmil](/molmil-images/mine/4m84) | |
4J52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j52 by Molmil](/molmil-images/mine/4j52) | Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | Descriptor: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
|
|
7WT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wt9 by Molmil](/molmil-images/mine/7wt9) | SARS-CoV-2 Omicron variant spike RBD in complex with Fab 9A8 | Descriptor: | Heavy chain of Fab 9A8, Light chain of Fab 9A8, Spike glycoprotein | Authors: | Wang, X, Wang, L. | Deposit date: | 2022-02-04 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD. Cell Discov, 8, 2022
|
|
7WT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wt7 by Molmil](/molmil-images/mine/7wt7) | SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ... | Authors: | Wang, X, Wang, L. | Deposit date: | 2022-02-04 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD. Cell Discov, 8, 2022
|
|
7WT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wt8 by Molmil](/molmil-images/mine/7wt8) | SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ... | Authors: | Wang, X, Wang, L. | Deposit date: | 2022-02-04 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD. Cell Discov, 8, 2022
|
|
7XB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xb2 by Molmil](/molmil-images/mine/7xb2) | |
6KZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kzc by Molmil](/molmil-images/mine/6kzc) | crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide | Descriptor: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor | Authors: | Zhang, Z.M, Wang, Y. | Deposit date: | 2019-09-23 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
|
|