6PLQ
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![BU of 6plq by Molmil](/molmil-images/mine/6plq) | CryoEM structure of zebra fish alpha-1 glycine receptor YGF mutant bound with GABA in SMA, super-open state | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM1
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![BU of 6pm1 by Molmil](/molmil-images/mine/6pm1) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, desensitized state | Descriptor: | 2-AMINOETHANESULFONIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM0
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![BU of 6pm0 by Molmil](/molmil-images/mine/6pm0) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, super-open state | Descriptor: | 2-AMINOETHANESULFONIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM4
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![BU of 6pm4 by Molmil](/molmil-images/mine/6pm4) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Glycine in SMA, super-open state | Descriptor: | GLYCINE, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM3
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![BU of 6pm3 by Molmil](/molmil-images/mine/6pm3) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, closed state | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM5
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![BU of 6pm5 by Molmil](/molmil-images/mine/6pm5) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Glycine in SMA, desensitized state | Descriptor: | GLYCINE, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM2
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![BU of 6pm2 by Molmil](/molmil-images/mine/6pm2) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, open state | Descriptor: | 2-AMINOETHANESULFONIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PLP
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![BU of 6plp by Molmil](/molmil-images/mine/6plp) | CryoEM structure of zebra fish alpha-1 glycine receptor YGF mutant bound with GABA in SMA, desensitized state | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM6
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![BU of 6pm6 by Molmil](/molmil-images/mine/6pm6) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Glycine in SMA, open state | Descriptor: | GLYCINE, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PLW
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![BU of 6plw by Molmil](/molmil-images/mine/6plw) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with GABA in SMA, super-open state | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6UWH
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![BU of 6uwh by Molmil](/molmil-images/mine/6uwh) | |
6OY1
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![BU of 6oy1 by Molmil](/molmil-images/mine/6oy1) | HIV-1 Protease NL4-3 WT in Complex with LR2-26 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6UOM
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![BU of 6uom by Molmil](/molmil-images/mine/6uom) | Y271G DNA polymerase beta ternary complex with templating adenine and incoming r8-oxo-GTP | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Smith, M.R, Freudenthal, B.D. | Deposit date: | 2019-10-15 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta. J.Biol.Chem., 295, 2020
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6O6Q
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![BU of 6o6q by Molmil](/molmil-images/mine/6o6q) | Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Casein kinase 2 catalytic subunit, ... | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-03-07 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans To Be Published
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6UWG
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![BU of 6uwg by Molmil](/molmil-images/mine/6uwg) | |
6UWU
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![BU of 6uwu by Molmil](/molmil-images/mine/6uwu) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516 | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4 | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-11-05 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation. J.Med.Chem., 63, 2020
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6OEX
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![BU of 6oex by Molmil](/molmil-images/mine/6oex) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | Descriptor: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | Deposit date: | 2019-03-28 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6OFM
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![BU of 6ofm by Molmil](/molmil-images/mine/6ofm) | Crystal structure of green fluorescent protein (GFP); S65T, Y66(3-CH3Y); ih circular permutant (50-51) | Descriptor: | Green fluorescent protein (GFP); S65T, Y66(3-CH3Y); ih circular permutant (50-51) | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | Deposit date: | 2019-03-31 | Release date: | 2019-07-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins. J.Am.Chem.Soc., 141, 2019
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6OMY
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![BU of 6omy by Molmil](/molmil-images/mine/6omy) | Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, apo state | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | Deposit date: | 2019-04-19 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
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6PXJ
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![BU of 6pxj by Molmil](/molmil-images/mine/6pxj) | Crystal structure of human thrombin mutant I16T | Descriptor: | GLYCEROL, MAGNESIUM ION, Thrombin heavy chain, ... | Authors: | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | Deposit date: | 2019-07-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Role of the I16-D194 ionic interaction in the trypsin fold. Sci Rep, 9, 2019
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6V6A
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![BU of 6v6a by Molmil](/molmil-images/mine/6v6a) | Inhibitory scaffolding of the ancient MAPK, ERK7 | Descriptor: | 1,2-ETHANEDIOL, Apical Cap Protein 9 (AC9), Mitogen-activated protein kinase | Authors: | Dewangan, P.S, O'Shaughnessy, W.J, Back, P.S, Hu, X, Bradley, P.J, Reese, M.L. | Deposit date: | 2019-12-04 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ancient MAPK ERK7 is regulated by an unusual inhibitory scaffold required forToxoplasmaapical complex biogenesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6V2B
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![BU of 6v2b by Molmil](/molmil-images/mine/6v2b) | |
6PU8
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![BU of 6pu8 by Molmil](/molmil-images/mine/6pu8) | Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate, HIV-1 protease | Authors: | Kovalevsky, A, Das, A. | Deposit date: | 2019-07-17 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design. Acs Omega, 5, 2020
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6VCQ
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![BU of 6vcq by Molmil](/molmil-images/mine/6vcq) | Crystal structure of E.coli RppH in complex with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, RNA pyrophosphohydrolase, SULFATE ION | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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7JVS
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![BU of 7jvs by Molmil](/molmil-images/mine/7jvs) | |