6VX9
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![BU of 6vx9 by Molmil](/molmil-images/mine/6vx9) | bestrophin-2 Ca2+- unbound state 1 (EGTA only) | Descriptor: | Bestrophin, CHLORIDE ION | Authors: | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | Deposit date: | 2020-02-21 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.17 Å) | Cite: | Structural and functional characterization of the bestrophin-2 anion channel. Nat.Struct.Mol.Biol., 27, 2020
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6VX6
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![BU of 6vx6 by Molmil](/molmil-images/mine/6vx6) | bestrophin-2 Ca2+-bound state (250 nM Ca2+) | Descriptor: | Bestrophin, CALCIUM ION, CHLORIDE ION | Authors: | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | Deposit date: | 2020-02-21 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and functional characterization of the bestrophin-2 anion channel. Nat.Struct.Mol.Biol., 27, 2020
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6VX5
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![BU of 6vx5 by Molmil](/molmil-images/mine/6vx5) | bestrophin-2 Ca2+- unbound state (250 nM Ca2+) | Descriptor: | Bestrophin, CHLORIDE ION | Authors: | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | Deposit date: | 2020-02-21 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Structural and functional characterization of the bestrophin-2 anion channel. Nat.Struct.Mol.Biol., 27, 2020
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6J20
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![BU of 6j20 by Molmil](/molmil-images/mine/6j20) | Crystal structure of the human NK1 substance P receptor | Descriptor: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | Deposit date: | 2018-12-30 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography. Nat Commun, 10, 2019
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6J21
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![BU of 6j21 by Molmil](/molmil-images/mine/6j21) | Crystal structure of the human NK1 substance P receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | Deposit date: | 2018-12-30 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography. Nat Commun, 10, 2019
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5TGZ
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![BU of 5tgz by Molmil](/molmil-images/mine/5tgz) | Crystal Structure of the Human Cannabinoid Receptor CB1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ... | Authors: | Hua, T, Vemuri, K, Pu, M, Qu, L, Han, G.W, Wu, Y, Zhao, S, Shui, W, Li, S, Korde, A, Laprairie, R.B, Stahl, E.L, Ho, J.H, Zvonok, N, Zhou, H, Kufareva, I, Wu, B, Zhao, Q, Hanson, M.A, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | Deposit date: | 2016-09-28 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Human Cannabinoid Receptor CB1. Cell, 167, 2016
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3E51
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![BU of 3e51 by Molmil](/molmil-images/mine/3e51) | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-08-12 | Release date: | 2009-08-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg.Med.Chem.Lett., 18, 2008
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6IIV
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![BU of 6iiv by Molmil](/molmil-images/mine/6iiv) | Crystal structure of the human thromboxane A2 receptor bound to daltroban | Descriptor: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid, CHOLESTEROL, GLYCEROL, ... | Authors: | Fan, H, Zhao, Q, Wu, B. | Deposit date: | 2018-10-07 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for ligand recognition of the human thromboxane A2receptor. Nat. Chem. Biol., 15, 2019
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1GA5
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![BU of 1ga5 by Molmil](/molmil-images/mine/1ga5) | CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT | Descriptor: | 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*(5IT)P*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ... | Authors: | Sierk, M.L, Zhao, Q, Rastinejad, F. | Deposit date: | 2000-11-29 | Release date: | 2001-11-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | DNA Deformability as a Recognition Feature in the RevErb Response Element Biochemistry, 40, 2001
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8HZC
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![BU of 8hzc by Molmil](/molmil-images/mine/8hzc) | |
8HZB
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![BU of 8hzb by Molmil](/molmil-images/mine/8hzb) | |
8HZS
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![BU of 8hzs by Molmil](/molmil-images/mine/8hzs) | |
3CWJ
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![BU of 3cwj by Molmil](/molmil-images/mine/3cwj) | Crystal structure of hcv ns5b polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-04-21 | Release date: | 2009-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase Bioorg.Med.Chem.Lett., 18, 2008
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3CO9
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![BU of 3co9 by Molmil](/molmil-images/mine/3co9) | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-03-27 | Release date: | 2009-02-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 18, 2008
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1HLZ
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![BU of 1hlz by Molmil](/molmil-images/mine/1hlz) | CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT | Descriptor: | 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ... | Authors: | Sierk, M.L, Zhao, Q, Rastinejad, F. | Deposit date: | 2000-12-04 | Release date: | 2001-11-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | DNA Deformability as a Recognition Feature in the RevErb Response Element Biochemistry, 40, 2001
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2ETT
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![BU of 2ett by Molmil](/molmil-images/mine/2ett) | Solution Structure of Human Sorting Nexin 22 PX Domain | Descriptor: | Sorting nexin-22 | Authors: | Song, J, Zhao, Q, Tyler, R.C, Lee, M.S, Newman, C.L, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-10-27 | Release date: | 2005-11-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human sorting nexin 22. Protein Sci., 16, 2007
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8ILF
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![BU of 8ilf by Molmil](/molmil-images/mine/8ilf) | The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | Authors: | Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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3A2A
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![BU of 3a2a by Molmil](/molmil-images/mine/3a2a) | The structure of the carboxyl-terminal domain of the human voltage-gated proton channel Hv1 | Descriptor: | CHLORIDE ION, Voltage-gated hydrogen channel 1 | Authors: | Li, S.J, Unno, H, Zhou, Q, Zhao, Q, Zhai, Y, Sun, F. | Deposit date: | 2009-05-08 | Release date: | 2010-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The role and structure of the carboxyl-terminal domain of the human voltage-gated proton channel Hv1. J.Biol.Chem., 285, 2010
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3D28
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![BU of 3d28 by Molmil](/molmil-images/mine/3d28) | Crystal structure of hcv ns5b polymerase with a novel benzisothiazole inhibitor | Descriptor: | (5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-05-07 | Release date: | 2009-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg.Med.Chem.Lett., 18, 2008
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3BSA
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![BU of 3bsa by Molmil](/molmil-images/mine/3bsa) | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | Descriptor: | 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2007-12-23 | Release date: | 2008-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
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1XSD
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![BU of 1xsd by Molmil](/molmil-images/mine/1xsd) | Crystal structure of the BlaI repressor in complex with DNA | Descriptor: | 5'-D(P*TP*AP*CP*TP*AP*CP*AP*TP*AP*TP*GP*TP*AP*GP*TP*A)-3', penicillinase repressor | Authors: | Safo, M.K, Ko, T.-P, Musayev, F.N, Zhao, Q, Robinson, H, Scarsdale, N, Wang, A.H.-J, Archer, G.L. | Deposit date: | 2004-10-19 | Release date: | 2005-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons J.Bacteriol., 187, 2005
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1TIZ
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![BU of 1tiz by Molmil](/molmil-images/mine/1tiz) | Solution Structure of a Calmodulin-Like Calcium-Binding Domain from Arabidopsis thaliana | Descriptor: | calmodulin-related protein, putative | Authors: | Song, J, Zhao, Q, Thao, S, Frederick, R.O, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-06-02 | Release date: | 2004-08-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Letter to the Editor: Solution structure of a calmodulin-like calcium-binding domain from Arabidopsis thaliana J.Biomol.NMR, 30, 2004
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1XRX
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![BU of 1xrx by Molmil](/molmil-images/mine/1xrx) | Crystal structure of a DNA-binding protein | Descriptor: | CALCIUM ION, SeqA protein | Authors: | Guarne, A, Brendler, T, Zhao, Q, Ghirlando, R, Austin, S, Yang, W. | Deposit date: | 2004-10-16 | Release date: | 2005-05-10 | Last modified: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of a SeqA-N filament: implications for DNA replication and chromosome organization. Embo J., 24, 2005
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4TNX
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![BU of 4tnx by Molmil](/molmil-images/mine/4tnx) | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TO3
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![BU of 4to3 by Molmil](/molmil-images/mine/4to3) | Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dCTP complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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