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
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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
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2O5D
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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4DOX
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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
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7EF6
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7EF7
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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
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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
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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
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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
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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
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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
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1EEZ
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