6EUT
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![BU of 6eut by Molmil](/molmil-images/mine/6eut) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67) | Descriptor: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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4XVX
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![BU of 4xvx by Molmil](/molmil-images/mine/4xvx) | Crystal structure of an acyl-ACP dehydrogenase | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Acyl-[acyl-carrier-protein] dehydrogenase MbtN, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Chai, A, Johnston, J.M, Bunker, R.D, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2015-01-28 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A covalent adduct of MbtN, an acyl-ACP dehydrogenase from Mycobacterium tuberculosis, reveals an unusual acyl-binding pocket. Acta Crystallogr.,Sect.D, 71, 2015
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8THC
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![BU of 8thc by Molmil](/molmil-images/mine/8thc) | Structure of the Saccharomyces cerevisiae clamp unloader Elg1-RFC bound to a cracked PCNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ... | Authors: | Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H. | Deposit date: | 2023-07-14 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structure of the PCNA unloader Elg1-RFC. Sci Adv, 10, 2024
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7PDX
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![BU of 7pdx by Molmil](/molmil-images/mine/7pdx) | Crystal structure of parent MAGE-A10 TCR (728) | Descriptor: | CHLORIDE ION, PHOSPHATE ION, T-cell receptor alpha chain (TRAV/TRAC), ... | Authors: | Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J. | Deposit date: | 2021-08-09 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy. J Immunother Cancer, 10, 2022
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6VGF
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![BU of 6vgf by Molmil](/molmil-images/mine/6vgf) | Peanut lectin complexed with divalent S-beta-D-thiogalactopyranosyl beta-D-glucopyranoside derivative (diSTGD) | Descriptor: | (2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, Galactose-binding lectin, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2020-01-08 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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7PV4
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5F7A
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![BU of 5f7a by Molmil](/molmil-images/mine/5f7a) | Nitrite complex structure of copper nitrite reductase from Alcaligenes faecalis determined at 293 K | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | Deposit date: | 2015-12-07 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography Proc.Natl.Acad.Sci.USA, 113, 2016
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8THD
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![BU of 8thd by Molmil](/molmil-images/mine/8thd) | Structure of the Saccharomyces cerevisiae clamp unloader Elg1-RFC bound to PCNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ... | Authors: | Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H. | Deposit date: | 2023-07-14 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structure of the PCNA unloader Elg1-RFC. Sci Adv, 10, 2024
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8THB
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![BU of 8thb by Molmil](/molmil-images/mine/8thb) | Structure of the Saccharomyces cerevisiae PCNA clamp unloader Elg1-RFC complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ELG1 isoform 1, MAGNESIUM ION, ... | Authors: | Zheng, F, Yao, Y.N, Georgescu, R, O'Donnell, M.E, Li, H. | Deposit date: | 2023-07-14 | Release date: | 2024-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the PCNA unloader Elg1-RFC. Sci Adv, 10, 2024
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7PZO
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![BU of 7pzo by Molmil](/molmil-images/mine/7pzo) | mite allergen Der p 3 from Dermatophagoides pteronyssinus | Descriptor: | SULFATE ION, mite allergen Der p 3 | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold. J.Biomol.Struct.Dyn., 36, 2018
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5AQJ
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![BU of 5aqj by Molmil](/molmil-images/mine/5aqj) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9H-purine-6,8-diamine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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1BHN
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![BU of 1bhn by Molmil](/molmil-images/mine/1bhn) | NUCLEOSIDE DIPHOSPHATE KINASE ISOFORM A FROM BOVINE RETINA | Descriptor: | GUANOSINE-3',5'-MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, NUCLEOSIDE DIPHOSPHATE TRANSFERASE | Authors: | Ladner, J.E, Abdulaev, N.G, Kakuev, D.L, Karaschuk, G.N, Tordova, M, Eisenstein, E, Fujiwara, J.H, Ridge, K.D, Gilliland, G.L. | Deposit date: | 1998-06-10 | Release date: | 1999-02-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional structures of two isoforms of nucleoside diphosphate kinase from bovine retina. Acta Crystallogr.,Sect.D, 55, 1999
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7Q3O
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7Q3H
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![BU of 7q3h by Molmil](/molmil-images/mine/7q3h) | Pentameric ligand-gated ion channel, DeCLIC at pH 7 with 10 mM EDTA | Descriptor: | Neur_chan_LBD domain-containing protein | Authors: | Lycksell, M, Rovsnik, U, Hanke, A, Howard, R.J, Lindahl, E. | Deposit date: | 2021-10-27 | Release date: | 2022-11-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Biophysical characterization of calcium-binding and modulatory-domain dynamics in a pentameric ligand-gated ion channel. Proc.Natl.Acad.Sci.USA, 119, 2022
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8PN6
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![BU of 8pn6 by Molmil](/molmil-images/mine/8pn6) | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus | Descriptor: | Genome polyprotein, Serine protease subunit NS2B | Authors: | Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus To Be Published
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7ZBE
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![BU of 7zbe by Molmil](/molmil-images/mine/7zbe) | Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SwissFEL) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-03-23 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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7Q3G
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![BU of 7q3g by Molmil](/molmil-images/mine/7q3g) | Pentameric ligand-gated ion channel, DeCLIC at pH 7 with 10 mM Ca2+ | Descriptor: | CALCIUM ION, Neur_chan_LBD domain-containing protein | Authors: | Licksell, M, Rovsnik, U, Hanke, A, Howard, R.J, Lindahl, E. | Deposit date: | 2021-10-27 | Release date: | 2022-11-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Biophysical characterization of calcium-binding and modulatory-domain dynamics in a pentameric ligand-gated ion channel. Proc.Natl.Acad.Sci.USA, 119, 2022
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6VGK
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![BU of 6vgk by Molmil](/molmil-images/mine/6vgk) | ClpP1P2 complex from M. tuberculosis | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2 | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR. Proc.Natl.Acad.Sci.USA, 117, 2020
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7ZBC
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![BU of 7zbc by Molmil](/molmil-images/mine/7zbc) | Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, S, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-03-23 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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7PR1
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3I7B
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![BU of 3i7b by Molmil](/molmil-images/mine/3i7b) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1 | Descriptor: | 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2009-07-08 | Release date: | 2010-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors. Nat.Struct.Mol.Biol., 17, 2010
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5F7B
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![BU of 5f7b by Molmil](/molmil-images/mine/5f7b) | Resting state structure of CuNiR form Alcaligenes faecalis determined at 293 K | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | Deposit date: | 2015-12-07 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography Proc.Natl.Acad.Sci.USA, 113, 2016
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7PZQ
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![BU of 7pzq by Molmil](/molmil-images/mine/7pzq) | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-13 | Release date: | 2023-01-25 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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6V1D
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![BU of 6v1d by Molmil](/molmil-images/mine/6v1d) | Crystal structure of human trefoil factor 1 | Descriptor: | Trefoil factor 1 | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | Deposit date: | 2019-11-20 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Trefoil factors share a lectin activity that defines their role in mucus. Nat Commun, 11, 2020
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5IPF
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![BU of 5ipf by Molmil](/molmil-images/mine/5ipf) | Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma mansoni in complex with IMP | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), INOSINIC ACID | Authors: | Romanello, L, Torini, J.R.S, Bird, L.E, Nettleship, J.E, Owens, R.J, DeMarco, R, Pereira, H.M, Brandao-Neto, J. | Deposit date: | 2016-03-09 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferases. Mol. Biochem. Parasitol., 229, 2019
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