8HUS
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![BU of 8hus by Molmil](/molmil-images/mine/8hus) | Crystal structure of SARS main protease in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUT
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![BU of 8hut by Molmil](/molmil-images/mine/8hut) | Crystal structure of MERS main protease in complex with S217622 | Descriptor: | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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6O2L
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![BU of 6o2l by Molmil](/molmil-images/mine/6o2l) | |
8IG6
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![BU of 8ig6 by Molmil](/molmil-images/mine/8ig6) | Crystal structure of MERS main protease in complex with GC376 | Descriptor: | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
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8IG5
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![BU of 8ig5 by Molmil](/molmil-images/mine/8ig5) | Crystal structure of SARS main protease in complex with GC376 | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
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6CCW
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![BU of 6ccw by Molmil](/molmil-images/mine/6ccw) | |
3T8S
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![BU of 3t8s by Molmil](/molmil-images/mine/3t8s) | Apo and InsP3-bound Crystal Structures of the Ligand-Binding Domain of an InsP3 Receptor | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Lin, C, Baek, K, Lu, Z. | Deposit date: | 2011-08-01 | Release date: | 2011-09-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Apo and InsP(3)-bound crystal structures of the ligand-binding domain of an InsP(3) receptor. Nat.Struct.Mol.Biol., 18, 2011
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7WQJ
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![BU of 7wqj by Molmil](/molmil-images/mine/7wqj) | Crystal structure of MERS main protease in complex with PF07304814 | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2022-01-25 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814 J.Mol.Biol., 434, 2022
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7VTC
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![BU of 7vtc by Molmil](/molmil-images/mine/7vtc) | Crystal structure of MERS main protease in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2021-10-28 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53865623 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7VLO
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![BU of 7vlo by Molmil](/molmil-images/mine/7vlo) | Crystal structure of SARS coronavirus main protease in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.0227 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7XRY
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![BU of 7xry by Molmil](/molmil-images/mine/7xry) | Crystal structure of MERS main protease in complex with inhibitor YH-53 | Descriptor: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2022-05-12 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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7YGQ
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![BU of 7ygq by Molmil](/molmil-images/mine/7ygq) | Crystal structure of SARS main protease in complex with inhibitor YH-53 | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-07-12 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor. Viruses, 14, 2022
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7WQI
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![BU of 7wqi by Molmil](/molmil-images/mine/7wqi) | Crystal structure of SARS coronavirus main protease in complex with PF07304814 | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-01-25 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of SARS coronavirus main protease in complex with PF07304814 To Be Published
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5OYB
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![BU of 5oyb by Molmil](/molmil-images/mine/5oyb) | Structure of calcium-bound mTMEM16A chloride channel at 3.75 A resolution | Descriptor: | Anoctamin-1, CALCIUM ION | Authors: | Paulino, C, Kalienkova, V, Lam, K.M, Neldner, Y, Dutzler, R. | Deposit date: | 2017-09-08 | Release date: | 2017-12-20 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Activation mechanism of the calcium-activated chloride channel TMEM16A revealed by cryo-EM. Nature, 552, 2017
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2MG8
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![BU of 2mg8 by Molmil](/molmil-images/mine/2mg8) | |
4RPQ
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![BU of 4rpq by Molmil](/molmil-images/mine/4rpq) | |
8TR9
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![BU of 8tr9 by Molmil](/molmil-images/mine/8tr9) | Cryo-EM structure of transglutaminase 2 bound to GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Protein-glutamine gamma-glutamyltransferase 2 | Authors: | Aplin, C, Cerione, R.A. | Deposit date: | 2023-08-09 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Conformational activation and inhibition of transglutaminase 2 determined by static and time resolved small-angle X-ray scattering and cryoelectron microscopy To Be Published
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5NL2
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![BU of 5nl2 by Molmil](/molmil-images/mine/5nl2) | cryo-EM structure of the mTMEM16A ion channel at 6.6 A resolution. | Descriptor: | Anoctamin-1 | Authors: | Paulino, C, Neldner, Y, Lam, K.M, Kalienkova, V, Brunner, J.D, Schenck, S, Dutzler, R. | Deposit date: | 2017-04-03 | Release date: | 2017-06-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structural basis for anion conduction in the calcium-activated chloride channel TMEM16A. Elife, 6, 2017
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3KLQ
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![BU of 3klq by Molmil](/molmil-images/mine/3klq) | Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S | Descriptor: | GLYCEROL, Putative pilus anchoring protein | Authors: | Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N. | Deposit date: | 2009-11-08 | Release date: | 2010-04-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring J.Biol.Chem., 285, 2010
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4YS1
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![BU of 4ys1 by Molmil](/molmil-images/mine/4ys1) | Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A. | Descriptor: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-16 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis. ACS Chem. Biol., 12, 2017
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4YX4
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![BU of 4yx4 by Molmil](/molmil-images/mine/4yx4) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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4YYT
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![BU of 4yyt by Molmil](/molmil-images/mine/4yyt) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5). | Descriptor: | 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-24 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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4YXO
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![BU of 4yxo by Molmil](/molmil-images/mine/4yxo) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). | Descriptor: | 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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4YXI
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![BU of 4yxi by Molmil](/molmil-images/mine/4yxi) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | Descriptor: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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4YXU
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![BU of 4yxu by Molmil](/molmil-images/mine/4yxu) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4). | Descriptor: | 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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