5FV7
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![BU of 5fv7 by Molmil](/molmil-images/mine/5fv7) | Human Fen1 in complex with an N-hydroxyurea compound | Descriptor: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, FLAP ENDONUCLEASE 1, MAGNESIUM ION | Authors: | Exell, J.C, Thompson, M.J, Finger, L.D, Shaw, S.K, Abbott, W.M, McWhirter, C, Debreczeni, J.E, Jones, C.D, Nissink, J.W.M, Ward, T.A, Sioberg, C.W.L, Molina, D.M, Durant, S.T, Grasby, J.A. | Deposit date: | 2016-02-03 | Release date: | 2016-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Cellular Active N-Hydroxyurea Fen1 Inhibitors Block Substrate Entry to the Active Site Nat.Chem.Biol., 12, 2016
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4PWX
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3VEJ
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![BU of 3vej by Molmil](/molmil-images/mine/3vej) | Crystal structure of the Get5 carboxyl domain from S. cerevisiae | Descriptor: | PHOSPHATE ION, Ubiquitin-like protein MDY2 | Authors: | Chartron, J.W, Vandervelde, D.G, Rao, M, Clemons Jr, W.M. | Deposit date: | 2012-01-08 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Get5 Carboxyl-terminal Domain Is a Novel Dimerization Motif That Tethers an Extended Get4/Get5 Complex. J.Biol.Chem., 287, 2012
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6EIK
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![BU of 6eik by Molmil](/molmil-images/mine/6eik) | A de novo designed heptameric coiled coil CC-Hept-I24E | Descriptor: | CC-Hept-I24E, FORMIC ACID, GLYCEROL | Authors: | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | Deposit date: | 2017-09-19 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules. ACS Synth Biol, 7, 2018
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8HW5
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8A09
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![BU of 8a09 by Molmil](/molmil-images/mine/8a09) | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4 | Descriptor: | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4, GLYCEROL | Authors: | Martin, F.J.O, Rhys, G.G, Dawson, W.M, Woolfson, D.N. | Deposit date: | 2022-05-27 | Release date: | 2022-06-15 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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6U47
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3D7M
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![BU of 3d7m by Molmil](/molmil-images/mine/3d7m) | Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | Authors: | Funk, M.A, Preininger, A.M, Oldham, W.M, Meier, S.M, Hamm, H.E, Iverson, T.M. | Deposit date: | 2008-05-21 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Helix dipole movement and conformational variability contribute to allosteric GDP release in Galphai subunits. Biochemistry, 48, 2009
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6LIX
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![BU of 6lix by Molmil](/molmil-images/mine/6lix) | CRL Protein of Arabidopsis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic | Authors: | Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M. | Deposit date: | 2019-12-13 | Release date: | 2020-09-16 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function. Plant J., 104, 2020
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1MU8
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![BU of 1mu8 by Molmil](/molmil-images/mine/1mu8) | thrombin-hirugen_l-378,650 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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6LIY
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![BU of 6liy by Molmil](/molmil-images/mine/6liy) | SeMet CRL Protein of Arabidopsis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic | Authors: | Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M. | Deposit date: | 2019-12-13 | Release date: | 2020-09-16 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function. Plant J., 104, 2020
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4PNF
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![BU of 4pnf by Molmil](/molmil-images/mine/4pnf) | Glutathione S-Transferase from Drosophila melanogaster - isozyme E6 | Descriptor: | GLUTATHIONE, RE21095p | Authors: | Scian, M, Le Trong, I, Mannervik, B, Atkins, W.M, Stenkamp, R.E. | Deposit date: | 2014-05-23 | Release date: | 2015-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Comparison of epsilon- and delta-class glutathione S-transferases: the crystal structures of the glutathione S-transferases DmGSTE6 and DmGSTE7 from Drosophila melanogaster. Acta Crystallogr.,Sect.D, 71, 2015
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7DIE
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![BU of 7die by Molmil](/molmil-images/mine/7die) | Crystal structure of M. penetrans Ferritin | Descriptor: | FE (III) ION, Ferritin | Authors: | Wang, w.m, Zhang, y, Wang, h.f. | Deposit date: | 2020-11-19 | Release date: | 2021-05-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ferritin with Atypical Ferroxidase Centers Takes B-Channels as the Pathway for Fe 2+ Uptake from Mycoplasma . Inorg.Chem., 60, 2021
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1MU6
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![BU of 1mu6 by Molmil](/molmil-images/mine/1mu6) | Crystal Structure of Thrombin in Complex with L-378,622 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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5AHF
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![BU of 5ahf by Molmil](/molmil-images/mine/5ahf) | Crystal structure of Salmonella enterica HisA D7N with ProFAR | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M. | Deposit date: | 2015-02-05 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa J.Biol.Chem., 290, 2015
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5A5W
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![BU of 5a5w by Molmil](/molmil-images/mine/5a5w) | Crystal structure of Salmonella enterica HisA D7N D176A with ProFAR | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M. | Deposit date: | 2015-06-23 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa J.Biol.Chem., 290, 2015
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4PNG
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![BU of 4png by Molmil](/molmil-images/mine/4png) | Glutathione S-transferase from Drosophila melanogaster - isozyme E7 | Descriptor: | L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, LD04004p | Authors: | Scian, M, Le Trong, I, Mannervik, B, Atkins, W.M, Stenkamp, R.E. | Deposit date: | 2014-05-23 | Release date: | 2015-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Comparison of epsilon- and delta-class glutathione S-transferases: the crystal structures of the glutathione S-transferases DmGSTE6 and DmGSTE7 from Drosophila melanogaster. Acta Crystallogr.,Sect.D, 71, 2015
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7DL4
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8QAC
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8ELF
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![BU of 8elf by Molmil](/molmil-images/mine/8elf) | Structure of Get3d, a homolog of Get3, from Arabidopsis thaliana | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Manu, M.S, Barlow, A.N, Clemons Jr, W.M, Ramasamy, S. | Deposit date: | 2022-09-23 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis. J.Biol.Chem., 299, 2023
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5L3H
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8EGK
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![BU of 8egk by Molmil](/molmil-images/mine/8egk) | Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120 | Descriptor: | AZIDE ION, All4481 protein | Authors: | Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M. | Deposit date: | 2022-09-12 | Release date: | 2023-05-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis. J.Biol.Chem., 299, 2023
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8UOZ
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![BU of 8uoz by Molmil](/molmil-images/mine/8uoz) | EmrE structure in the TPP-bound state (WT/E14Q heterodimer) | Descriptor: | SMR family multidrug efflux protein EmrE, TETRAPHENYLPHOSPHONIUM | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | Deposit date: | 2023-10-20 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | SOLID-STATE NMR, SOLUTION NMR | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE. Nat Commun, 15, 2024
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5IDD
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![BU of 5idd by Molmil](/molmil-images/mine/5idd) | Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted. | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Tanley, S.W.M, Helliwell, J.R. | Deposit date: | 2016-02-24 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn., 3, 2016
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1EV4
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![BU of 1ev4 by Molmil](/molmil-images/mine/1ev4) | RAT GLUTATHIONE S-TRANSFERASE A1-1: MUTANT W21F/F220Y WITH GSO3 BOUND | Descriptor: | GLUTATHIONE S-TRANSFERASE A1-1, GLUTATHIONE SULFONIC ACID, SULFATE ION | Authors: | Adman, E.T, Le Trong, I, Stenkamp, R.E, Nieslanik, B.S, Dietze, E.C, Tai, G, Ibarra, C, Atkins, W.M. | Deposit date: | 2000-04-19 | Release date: | 2001-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Localization of the C-terminus of rat glutathione S-transferase A1-1: crystal structure of mutants W21F and W21F/F220Y. Proteins, 42, 2001
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