4V1R
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![BU of 4v1r by Molmil](/molmil-images/mine/4v1r) | Structure of a selenomethionine derivative of the GH76 alpha- mannanase BT2949 Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, S,R MESO-TARTARIC ACID | Authors: | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | Deposit date: | 2014-10-02 | Release date: | 2015-02-11 | Last modified: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron Acta Crystallogr.,Sect.D, 71, 2015
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5S7J
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![BU of 5s7j by Molmil](/molmil-images/mine/5s7j) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-oxolan-2-yl]methanamine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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5S7U
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![BU of 5s7u by Molmil](/molmil-images/mine/5s7u) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a | Descriptor: | (4S)-1-methylimidazolidin-4-amine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | XChem group deposition To Be Published
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5S77
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![BU of 5s77 by Molmil](/molmil-images/mine/5s77) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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5S82
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![BU of 5s82 by Molmil](/molmil-images/mine/5s82) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | XChem group deposition To Be Published
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5S7B
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![BU of 5s7b by Molmil](/molmil-images/mine/5s7b) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d | Descriptor: | (3R)-thiolane-3-carboxylic acid, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | XChem group deposition To Be Published
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6RPX
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![BU of 6rpx by Molmil](/molmil-images/mine/6rpx) | |
5S7E
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![BU of 5s7e by Molmil](/molmil-images/mine/5s7e) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a | Descriptor: | (3R)-1,2-oxazolidine-3-carbonitrile, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | XChem group deposition To Be Published
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6RPY
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![BU of 6rpy by Molmil](/molmil-images/mine/6rpy) | Cytokine receptor-like factor 3 C-terminus residues 174-442: Hg-SAD derivative | Descriptor: | Cytokine receptor-like factor 3, MERCURY (II) ION | Authors: | Mifsud, R.W, Yan, Y, Bennett, C, Read, R.J. | Deposit date: | 2019-05-15 | Release date: | 2020-03-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | CRLF3 plays a key role in the final stage of platelet genesis and is a potential therapeutic target for thrombocythemia. Blood, 139, 2022
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6QZH
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![BU of 6qzh by Molmil](/molmil-images/mine/6qzh) | Structure of the human CC Chemokine Receptor 7 in complex with the intracellular allosteric antagonist Cmp2105 and the insertion protein Sialidase NanA | Descriptor: | 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide, C-C chemokine receptor type 7,Sialidase A,C-C chemokine receptor type 7, D(-)-TARTARIC ACID, ... | Authors: | Jaeger, K, Bruenle, S, Weinert, T, Guba, W, Muehle, J, Miyazaki, T, Weber, M, Furrer, A, Haenggi, N, Tetaz, T, Huang, C.Y, Mattle, D, Vonach, J.M, Gast, A, Kuglstatter, A, Rudolph, M.G, Nogly, P, Benz, J, Dawson, R.J.P, Standfuss, J. | Deposit date: | 2019-03-11 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7. Cell, 178, 2019
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6SB1
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![BU of 6sb1 by Molmil](/molmil-images/mine/6sb1) | Crystal structure of murine perforin-2 P2 domain crystal form 1 | Descriptor: | CHLORIDE ION, GLYCEROL, Macrophage-expressed gene 1 protein | Authors: | Ni, T, Ginger, L, Gilbert, R.J.C. | Deposit date: | 2019-07-18 | Release date: | 2020-02-05 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity. Sci Adv, 6, 2020
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6SB3
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![BU of 6sb3 by Molmil](/molmil-images/mine/6sb3) | |
1Y0J
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![BU of 1y0j by Molmil](/molmil-images/mine/1y0j) | Zinc fingers as protein recognition motifs: structural basis for the GATA-1/Friend of GATA interaction | Descriptor: | Erythroid transcription factor, ZINC ION, Zinc-finger protein ush | Authors: | Liew, C.K, Simpson, R.J.Y, Kwan, A.H.Y, Crofts, L.A, Loughlin, F.E, Matthews, J.M, Crossley, M, Mackay, J.P. | Deposit date: | 2004-11-15 | Release date: | 2005-01-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Zinc fingers as protein recognition motifs: Structural basis for the GATA-1/Friend of GATA interaction Proc.Natl.Acad.Sci.Usa, 102, 2005
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6SB4
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![BU of 6sb4 by Molmil](/molmil-images/mine/6sb4) | Crystal structure of murine perforin-2 P2 domain crystal form 2 | Descriptor: | Macrophage-expressed gene 1 protein | Authors: | Ni, T, Yu, X, Ginger, L, Gilbert, R.J.C. | Deposit date: | 2019-07-18 | Release date: | 2020-02-05 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity. Sci Adv, 6, 2020
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5T1A
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![BU of 5t1a by Molmil](/molmil-images/mine/5t1a) | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ... | Authors: | Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M. | Deposit date: | 2016-08-18 | Release date: | 2016-12-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists. Nature, 540, 2016
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5TN2
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![BU of 5tn2 by Molmil](/molmil-images/mine/5tn2) | Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis | Descriptor: | HTH-type transcriptional regulator SinR | Authors: | Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J. | Deposit date: | 2016-10-13 | Release date: | 2017-10-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis. J.Mol.Biol., 2019
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5TN0
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![BU of 5tn0 by Molmil](/molmil-images/mine/5tn0) | Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis | Descriptor: | HTH-type transcriptional regulator SinR | Authors: | Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J. | Deposit date: | 2016-10-13 | Release date: | 2017-10-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis. J.Mol.Biol., 2019
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5TDX
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![BU of 5tdx by Molmil](/molmil-images/mine/5tdx) | Resurrected Ancestral Hydroxynitrile Lyase from Flowering Plants | Descriptor: | Ancestral Hydroxynitrile Lyase 1, GLYCEROL | Authors: | Jones, B.J, Evans, R, Wilmot, C.M, Kazlauskas, R.J. | Deposit date: | 2016-09-20 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Larger active site in an ancestral hydroxynitrile lyase increases catalytically promiscuous esterase activity. Plos One, 15, 2020
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5TMX
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![BU of 5tmx by Molmil](/molmil-images/mine/5tmx) | Solution Structure of SinI, antagonist to the master biofilm-regulator SinR in Bacillus subtilis | Descriptor: | Protein SinI | Authors: | Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J. | Deposit date: | 2016-10-13 | Release date: | 2017-10-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis. J.Mol.Biol., 2019
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5SYQ
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![BU of 5syq by Molmil](/molmil-images/mine/5syq) | Solution structure of Aquifex aeolicus Aq1974 | Descriptor: | Uncharacterized protein aq_1974 | Authors: | Sachleben, J.R, Gawlak, G, Hoey, R.J, Liu, G, Joachimiak, A, Montelione, G.T, Koide, S, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2016-08-11 | Release date: | 2016-09-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Aromatic claw: A new fold with high aromatic content that evades structural prediction. Protein Sci., 26, 2017
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5U4W
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![BU of 5u4w by Molmil](/molmil-images/mine/5u4w) | Cryo-EM Structure of Immature Zika Virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein, ... | Authors: | Mangala Prasad, V, Miller, A.S, Klose, T, Sirohi, D, Buda, G, Jiang, W, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2016-12-06 | Release date: | 2017-01-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (9.1 Å) | Cite: | Structure of the immature Zika virus at 9 angstrom resolution. Nat. Struct. Mol. Biol., 24, 2017
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5U98
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![BU of 5u98 by Molmil](/molmil-images/mine/5u98) | The crystal structure of a self-peptide complexed to Abacavir and HLA-B*57:01 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | Authors: | Ostrov, D.A, Bracey, A.W, Pompeu, Y.A, Jakoncic, J, Buus, S, Buus, A.S, Schutte, R.J. | Deposit date: | 2016-12-15 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Elements Recognized by Abacavir-Induced T Cells. Int J Mol Sci, 18, 2017
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5U9Z
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![BU of 5u9z by Molmil](/molmil-images/mine/5u9z) | |
5UEI
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![BU of 5uei by Molmil](/molmil-images/mine/5uei) | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 (Apo) | Descriptor: | CHLORIDE ION, GLYCEROL, O13 | Authors: | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Herrin, B.R, Cooper, M.D, Wilson, I.A. | Deposit date: | 2017-01-02 | Release date: | 2017-10-18 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates. Structure, 25, 2017
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5UF6
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![BU of 5uf6 by Molmil](/molmil-images/mine/5uf6) | The 2.8 A Electron Microscopy Structure of Adeno-Associated Virus-DJ Bound by a Heparanoid Pentasaccharide | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, capsid protein VP1 | Authors: | Xie, Q, Spear, J.M, Noble, A.J, Sousa, D.R, Meyer, N.L, Davulcu, O, Zhang, F, Linhardt, R.J, Stagg, S.M, Chapman, M. | Deposit date: | 2017-01-03 | Release date: | 2017-05-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The 2.8 angstrom Electron Microscopy Structure of Adeno-Associated Virus-DJ Bound by a Heparinoid Pentasaccharide. Mol Ther Methods Clin Dev, 5, 2017
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