4XGO
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![BU of 4xgo by Molmil](/molmil-images/mine/4xgo) | Crystal structure of leucine-rich repeat domain of APL1B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Anopheles Plasmodium-responsive Leucine-rich repeat protein 1B, ... | Authors: | Williams, M, Summers, B, Baxter, R.H.G. | Deposit date: | 2015-01-01 | Release date: | 2015-04-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Biophysical Analysis of Anopheles gambiae Leucine-Rich Repeat Proteins APL1A1, APLB and APL1C and Their Interaction with LRIM1. Plos One, 10, 2015
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3RIE
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![BU of 3rie by Molmil](/molmil-images/mine/3rie) | The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | Authors: | Williams, M, Sprenger, J, Persson, L, Louw, A.I, Birkholtz, L, Al-Karadaghi, S. | Deposit date: | 2011-04-13 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail. Malar J, 14, 2015
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6YB7
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![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-16 | Release date: | 2020-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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6Y84
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![BU of 6y84 by Molmil](/molmil-images/mine/6y84) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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4JGZ
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![BU of 4jgz by Molmil](/molmil-images/mine/4jgz) | Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222) | Descriptor: | Polyprotein, capsid protein VP1, capsid protein VP2, ... | Authors: | Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, McAuley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | Deposit date: | 2013-03-04 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Picornavirus uncoating intermediate captured in atomic detail. Nat Commun, 4, 2013
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4JGY
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![BU of 4jgy by Molmil](/molmil-images/mine/4jgy) | Crystal structure of human coxsackievirus A16 uncoating intermediate (space group P4232) | Descriptor: | Polyprotein, capsid protein VP1, capsid protein VP2, ... | Authors: | Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, Mcauley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | Deposit date: | 2013-03-04 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Picornavirus uncoating intermediate captured in atomic detail. Nat Commun, 4, 2013
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4LNV
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![BU of 4lnv by Molmil](/molmil-images/mine/4lnv) | Crystal Structure of TEP1s | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Thioester-containing protein I | Authors: | Le, B.V, Williams, M, Logarajah, S, Baxter, R.H.G. | Deposit date: | 2013-07-12 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Molecular basis for genetic resistance of Anopheles gambiae to Plasmodium: structural analysis of TEP1 susceptible and resistant alleles. Plos Pathog., 8, 2012
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5A25
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![BU of 5a25 by Molmil](/molmil-images/mine/5a25) | Rational engineering of a mesophilic carbonic anhydrase to an extreme halotolerant biocatalyst | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, SODIUM ION, ... | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2015-05-12 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4CNW
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![BU of 4cnw by Molmil](/molmil-images/mine/4cnw) | Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | Descriptor: | CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2014-01-25 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4CNX
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![BU of 4cnx by Molmil](/molmil-images/mine/4cnx) | Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | Descriptor: | CARBONIC ANHYDRASE 2, DI(HYDROXYETHYL)ETHER, ZINC ION | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2014-01-25 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4CNV
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![BU of 4cnv by Molmil](/molmil-images/mine/4cnv) | Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2014-01-25 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4CNR
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![BU of 4cnr by Molmil](/molmil-images/mine/4cnr) | Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | Descriptor: | CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | Deposit date: | 2014-01-24 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
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4D94
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![BU of 4d94 by Molmil](/molmil-images/mine/4d94) | Crystal Structure of TEP1r | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Le, B.V, Williams, M, Logarajah, S, Baxter, R.H.G. | Deposit date: | 2012-01-11 | Release date: | 2012-10-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular Basis for Genetic Resistance of Anopheles gambiae to Plasmodium: Structural Analysis of TEP1 Susceptible and Resistant Alleles. Plos Pathog., 8, 2012
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2UV6
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![BU of 2uv6 by Molmil](/molmil-images/mine/2uv6) | Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE | Authors: | Day, P, Sharff, A, Parra, L, Cleasby, A, Williams, M, Horer, S, Nar, H, Redemann, N, Tickle, I, Yon, J. | Deposit date: | 2007-03-09 | Release date: | 2007-05-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp. Acta Crystallogr.,Sect.D, 63, 2007
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2UV4
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![BU of 2uv4 by Molmil](/molmil-images/mine/2uv4) | Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE | Authors: | Day, P, Sharff, A, PArra, L, Cleasby, A, Williams, M, Horer, S, Nar, H, Redemann, N, Tickle, I, Yon, J. | Deposit date: | 2007-03-09 | Release date: | 2007-05-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp. Acta Crystallogr.,Sect.D, 63, 2007
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2UV5
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![BU of 2uv5 by Molmil](/molmil-images/mine/2uv5) | Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE | Authors: | Day, P, Sharff, A, Parra, L, Cleasby, A, Williams, M, Horer, S, Nar, H, Redemann, N, Tickle, I, Yon, J. | Deposit date: | 2007-03-09 | Release date: | 2007-05-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp. Acta Crystallogr.,Sect.D, 63, 2007
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2UV7
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![BU of 2uv7 by Molmil](/molmil-images/mine/2uv7) | Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE | Authors: | Day, P, Sharff, A, Parra, L, Cleasby, A, Williams, M, Horer, S, Nar, H, Redemann, N, Tickle, I, Yon, J. | Deposit date: | 2007-03-09 | Release date: | 2007-05-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp. Acta Crystallogr.,Sect.D, 63, 2007
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1GXX
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![BU of 1gxx by Molmil](/molmil-images/mine/1gxx) | |
1GXV
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![BU of 1gxv by Molmil](/molmil-images/mine/1gxv) | |
7DFR
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![BU of 7dfr by Molmil](/molmil-images/mine/7dfr) | |
5DFR
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![BU of 5dfr by Molmil](/molmil-images/mine/5dfr) | |
6DFR
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![BU of 6dfr by Molmil](/molmil-images/mine/6dfr) | |
6HCR
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![BU of 6hcr by Molmil](/molmil-images/mine/6hcr) | Synthetic Self-assembling ADDomer Platform for Highly Efficient Vaccination by Genetically-encoded Multi-epitope Display | Descriptor: | Penton protein | Authors: | Bufton, J.C, Berger, I, Schaffitzel, C, Garzoni, F, Rabi, F.A. | Deposit date: | 2018-08-16 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display. Sci Adv, 5, 2019
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2MJI
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![BU of 2mji by Molmil](/molmil-images/mine/2mji) | HIFABP_Ketorolac_complex | Descriptor: | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid, Fatty acid-binding protein, intestinal | Authors: | Patil, R, Laguerre, A, Wielens, J, Headey, S, Williams, M, Mohanty, B, Porter, C, Scanlon, M. | Deposit date: | 2014-01-09 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Characterization of two distinct modes of drug binding to human intestinal Fatty Acid binding protein. Acs Chem.Biol., 9, 2014
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3BYZ
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![BU of 3byz by Molmil](/molmil-images/mine/3byz) | 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors | Descriptor: | (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, J, Jordan, S.R, Li, V. | Deposit date: | 2008-01-16 | Release date: | 2008-02-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice. J.Med.Chem., 51, 2008
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