3E8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e8n by Molmil](/molmil-images/mine/3e8n) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Yan, S, Wang, Z.M. | Deposit date: | 2008-08-20 | Release date: | 2009-09-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | RDEA119/BAY 869766: a potent, selective, allosteric inhibitor of MEK1/2 for the treatment of cancer. Cancer Res., 69, 2009
|
|
4GOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4goy by Molmil](/molmil-images/mine/4goy) | The crystal structure of human fascin 1 K41A mutant | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ... | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | Deposit date: | 2012-08-20 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular mechanism of fascin function in filopodial formation. J.Biol.Chem., 288, 2013
|
|
2O5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o5d by Molmil](/molmil-images/mine/2o5d) | |
2HWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hwh by Molmil](/molmil-images/mine/2hwh) | HCV NS5B allosteric inhibitor complex | Descriptor: | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE, RNA-directed RNA polymerase (NS5B) (p68) | Authors: | Yao, N. | Deposit date: | 2006-08-01 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2HWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hwi by Molmil](/molmil-images/mine/2hwi) | HCV NS5B allosteric inhibitor complex | Descriptor: | (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID, RNA-directed RNA polymerase (NS5B) (p68) | Authors: | Yao, N. | Deposit date: | 2006-08-01 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
|
|
4GP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gp3 by Molmil](/molmil-images/mine/4gp3) | The crystal structure of human fascin 1 K358A mutant | Descriptor: | BROMIDE ION, CHLORIDE ION, Fascin, ... | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | Deposit date: | 2012-08-20 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular mechanism of fascin function in filopodial formation. J.Biol.Chem., 288, 2013
|
|
4GP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gp0 by Molmil](/molmil-images/mine/4gp0) | The crystal structure of human fascin 1 R149A K150A R151A mutant | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ... | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | Deposit date: | 2012-08-20 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of fascin function in filopodial formation. J.Biol.Chem., 288, 2013
|
|
4GOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gov by Molmil](/molmil-images/mine/4gov) | The crystal structure of human fascin 1 S39D mutant | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ... | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | Deposit date: | 2012-08-20 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular mechanism of fascin function in filopodial formation. J.Biol.Chem., 288, 2013
|
|
4JKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jkz by Molmil](/molmil-images/mine/4jkz) | Crystal structure of ms6564 from mycobacterium smegmatis | Descriptor: | Transcriptional regulator, TetR family | Authors: | Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H. | Deposit date: | 2013-03-12 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA. J.Biol.Chem., 288, 2013
|
|
4JL3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jl3 by Molmil](/molmil-images/mine/4jl3) | Crystal structure of ms6564-dna complex | Descriptor: | DNA (31-MER), Transcriptional regulator, TetR family | Authors: | Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H. | Deposit date: | 2013-03-12 | Release date: | 2013-06-26 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA. J.Biol.Chem., 288, 2013
|
|
6XE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xe9 by Molmil](/molmil-images/mine/6xe9) | 10S myosin II (smooth muscle) | Descriptor: | Myosin II heavy chain (smooth muscle), Myosin light chain 9, Myosin light chain smooth muscle isoform | Authors: | Tiwari, P, Craig, R, Padron, R. | Deposit date: | 2020-06-12 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structure of the inhibited (10S) form of myosin II. Nature, 588, 2020
|
|
4ZCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zcg by Molmil](/molmil-images/mine/4zcg) | Crystal Structure of human GGT1 in complex with Glutamate (with all atoms of glutamate) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | Terzyan, S, Hanigan, M. | Deposit date: | 2015-04-15 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
|
|
4ZBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zbk by Molmil](/molmil-images/mine/4zbk) | Crystal Structure of human GGT1 in complex with GGsTop inhibitor | Descriptor: | (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Terzyan, S, Hanigan, M. | Deposit date: | 2015-04-14 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
|
|
4ZC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zc6 by Molmil](/molmil-images/mine/4zc6) | Crystal Structure of human GGT1 in complex with Serine Borate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Gamma-glutamyltranspeptidase 1 heavy chain, ... | Authors: | Terzyan, S, Hanigan, M. | Deposit date: | 2015-04-15 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
|
|
4DOX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dox by Molmil](/molmil-images/mine/4dox) | |
3UI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ui7 by Molmil](/molmil-images/mine/3ui7) | Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, S, Smotryski, J, Mcelroy, W, Ho, G, Tulshian, D, Greenlee, W.J, Hodgson, R, Xiao, L, Hruza, A. | Deposit date: | 2011-11-04 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
|
|
7EF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ef6 by Molmil](/molmil-images/mine/7ef6) | |
7EF7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ef7 by Molmil](/molmil-images/mine/7ef7) | |
5V4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v4q by Molmil](/molmil-images/mine/5v4q) | Crystal Structure of human GGT1 in complex with DON | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5,5-dihydroxy-L-norleucine, CHLORIDE ION, ... | Authors: | Terzyan, S, Hanigan, M. | Deposit date: | 2017-03-10 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of 6-diazo-5-oxo-norleucine-bound human gamma-glutamyl transpeptidase 1, a novel mechanism of inactivation. Protein Sci., 26, 2017
|
|
2GX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gx4 by Molmil](/molmil-images/mine/2gx4) | Crystal structure of SARS coronavirus 3CL protease inhibitor complex | Descriptor: | 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE | Authors: | Hsu, M.F, Wang, A.H.-J. | Deposit date: | 2006-05-08 | Release date: | 2007-05-08 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor. J.Med.Chem., 49, 2006
|
|
8G6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g6b by Molmil](/molmil-images/mine/8g6b) | Crystal structure of PfAMA1-RON2L chimera | Descriptor: | Apical membrane antigen 1, rhoptry neck protein 2 chimera, SULFATE ION | Authors: | Boulanger, M.J, Ramaswamy, R. | Deposit date: | 2023-02-14 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure guided mimicry of an essential P. falciparum receptor-ligand complex enhances cross neutralizing antibodies. Nat Commun, 14, 2023
|
|
4LNR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lnr by Molmil](/molmil-images/mine/4lnr) | The structure of HLA-B*35:01 in complex with the peptide (RPQVPLRPMTY) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Cheng, H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-07-12 | Release date: | 2014-07-23 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Peptide-dependent conformational fluctuation determines the stability of the human leukocyte antigen class I complex. J.Biol.Chem., 289, 2014
|
|
6KRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kru by Molmil](/molmil-images/mine/6kru) | Crystal structure of mouse IgG2b Fc | Descriptor: | Ig gamma-2B chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Taniguchi, Y, Satoh, T, Yagi, H, Kato, K. | Deposit date: | 2019-08-22 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q. Int J Mol Sci, 21, 2019
|
|
6KRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6krv by Molmil](/molmil-images/mine/6krv) | Crystal structure of mouse IgG2b Fc complexed with B domain of Protein A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2B chain C region, ... | Authors: | Taniguchi, Y, Satoh, T, Yagi, H, Kato, K. | Deposit date: | 2019-08-22 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q. Int J Mol Sci, 21, 2019
|
|
1EEZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1eez by Molmil](/molmil-images/mine/1eez) | |