4F1Z
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![BU of 4f1z by Molmil](/molmil-images/mine/4f1z) | Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | Descriptor: | Clumping factor B, MAGNESIUM ION, peptide from Keratin, ... | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
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4F20
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![BU of 4f20 by Molmil](/molmil-images/mine/4f20) | Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | Descriptor: | Clumping factor B, MAGNESIUM ION, peptide from Dermokine | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
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4F24
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![BU of 4f24 by Molmil](/molmil-images/mine/4f24) | Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | Descriptor: | Clumping factor B, MAGNESIUM ION | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.509 Å) | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
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4F27
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![BU of 4f27 by Molmil](/molmil-images/mine/4f27) | Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | Descriptor: | Clumping factor B, MAGNESIUM ION, peptide from Fibrinogen alpha chain | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2015-02-04 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
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3VKW
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![BU of 3vkw by Molmil](/molmil-images/mine/3vkw) | Crystal Structure of the Superfamily 1 Helicase from Tomato Mosaic Virus | Descriptor: | Replicase large subunit, SULFATE ION | Authors: | Nishikiori, M, Sugiyama, S, Xiang, H, Niiyama, M, Ishibashi, K, Inoue, T, Ishikawa, M, Matsumura, H, Katoh, E. | Deposit date: | 2011-11-22 | Release date: | 2012-07-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the superfamily 1 helicase from tomato mosaic virus J.Virol., 86, 2012
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4LMQ
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![BU of 4lmq by Molmil](/molmil-images/mine/4lmq) | Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12 | Descriptor: | Stromal cell-derived factor 1, hu30D8 Fab heavy chain, hu30D8 Fab light chain | Authors: | Zhong, Z, Wang, J, Li, B, Xiang, H, Ultsch, M, Coons, M, Wong, T, Chiang, N.Y, Clark, S, Clark, R, Quintana, L, Gribling, P, Suto, E, Barck, K, Corpuz, R, Yao, J, Takkar, R, Lee, W.P, Damico-Beyer, L.A, Carano, R.D, Adams, C, Kelley, R.F, Wang, W, Ferrara, N. | Deposit date: | 2013-07-10 | Release date: | 2013-08-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.773 Å) | Cite: | Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12. Clin.Cancer Res., 19, 2013
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6KY5
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![BU of 6ky5 by Molmil](/molmil-images/mine/6ky5) | Crystal structure of a hydrolase mutant | Descriptor: | PET hydrolase, SULFATE ION | Authors: | Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B. | Deposit date: | 2019-09-16 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Computational redesign of PETase for plasticbiodegradation by GRAPE strategy. Biorxiv, 2020
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3QCQ
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![BU of 3qcq by Molmil](/molmil-images/mine/3qcq) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCY
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![BU of 3qcy by Molmil](/molmil-images/mine/3qcy) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide | Descriptor: | (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCX
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![BU of 3qcx by Molmil](/molmil-images/mine/3qcx) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCS
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![BU of 3qcs by Molmil](/molmil-images/mine/3qcs) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.487 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD0
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![BU of 3qd0 by Molmil](/molmil-images/mine/3qd0) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide | Descriptor: | (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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6IFK
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![BU of 6ifk by Molmil](/molmil-images/mine/6ifk) | Cryo-EM structure of type III-A Csm-CTR1 complex, AMPPNP bound | Descriptor: | CTR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-20 | Release date: | 2018-12-12 | Last modified: | 2019-01-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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6IG0
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![BU of 6ig0 by Molmil](/molmil-images/mine/6ig0) | Type III-A Csm complex, Cryo-EM structure of Csm-CTR1, ATP bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTR1, MAGNESIUM ION, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2019-01-23 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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6IFY
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![BU of 6ify by Molmil](/molmil-images/mine/6ify) | Type III-A Csm complex, Cryo-EM structure of Csm-CTR1 | Descriptor: | CTR1, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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6IFL
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![BU of 6ifl by Molmil](/molmil-images/mine/6ifl) | Cryo-EM structure of type III-A Csm-NTR complex | Descriptor: | NTR, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-20 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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1NZY
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![BU of 1nzy by Molmil](/molmil-images/mine/1nzy) | |
6IFZ
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![BU of 6ifz by Molmil](/molmil-images/mine/6ifz) | Type III-A Csm complex, Cryo-EM structure of Csm-CTR2-ssDNA complex | Descriptor: | CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2019-01-23 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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6IFN
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![BU of 6ifn by Molmil](/molmil-images/mine/6ifn) | Crystal structure of Type III-A CRISPR Csm complex | Descriptor: | MANGANESE (II) ION, RNA (32-MER), Type III-A CRISPR-associated RAMP protein Csm3, ... | Authors: | You, L, Wang, J, Wang, Y. | Deposit date: | 2018-09-20 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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6IFU
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![BU of 6ifu by Molmil](/molmil-images/mine/6ifu) | Cryo-EM structure of type III-A Csm-CTR2-dsDNA complex | Descriptor: | CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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6IFR
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![BU of 6ifr by Molmil](/molmil-images/mine/6ifr) | Type III-A Csm complex, Cryo-EM structure of Csm-NTR, ATP bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Type III-A CRISPR-associated RAMP protein Csm3, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2019-01-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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4K3J
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![BU of 4k3j by Molmil](/molmil-images/mine/4k3j) | Crystal structure of Onartuzumab Fab in complex with MET and HGF-beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor beta chain, ... | Authors: | Ma, X, Starovasnik, M.A. | Deposit date: | 2013-04-10 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Monovalent antibody design and mechanism of action of onartuzumab, a MET antagonist with anti-tumor activity as a therapeutic agent. Proc.Natl.Acad.Sci.USA, 110, 2013
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7WNV
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![BU of 7wnv by Molmil](/molmil-images/mine/7wnv) | Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9 | Descriptor: | (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide, Estrogen receptor | Authors: | Xiao, Y, Lv, Y. | Deposit date: | 2022-01-19 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystallography study and optimization of novel benzothiophene analogs as potent selective estrogen receptor covalent antagonists (SERCAs) with improved potency and safety profiles. Bioorg.Chem., 141, 2023
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