3R9V
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![BU of 3r9v by Molmil](/molmil-images/mine/3r9v) | Cocrystal Structure of Proteolytically Truncated Form of IpaD from Shigella flexneri Bound to Deoxycholate | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCEROL, Invasin ipaD | Authors: | Barta, M.L, Dickenson, N.E, Picking, W.L, Picking, W.D, Geisbrecht, B.V. | Deposit date: | 2011-03-26 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of the bile salt binding site on IpaD from Shigella flexneri and the influence of ligand binding on IpaD structure. Proteins, 80, 2012
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3RS1
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![BU of 3rs1 by Molmil](/molmil-images/mine/3rs1) | Mouse C-type lectin-related protein Clrg | Descriptor: | C-type lectin domain family 2 member I, CHLORIDE ION | Authors: | Skalova, T, Dohnalek, J, Duskova, J, Stepankova, A, Koval, T, Hasek, J, Kotynkova, K, Vanek, O, Bezouska, K. | Deposit date: | 2011-05-02 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mouse Clr-g, a Ligand for NK Cell Activation Receptor NKR-P1F: Crystal Structure and Biophysical Properties. J.Immunol., 189, 2012
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3T1D
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![BU of 3t1d by Molmil](/molmil-images/mine/3t1d) | The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin | Descriptor: | 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2011-07-21 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands. J Struct Biol X, 2, 2019
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3RIJ
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![BU of 3rij by Molmil](/molmil-images/mine/3rij) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | GLYCEROL, SC_2cx5 | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-13 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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3SON
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3S2X
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![BU of 3s2x by Molmil](/molmil-images/mine/3s2x) | Structure of acetyl-Coenzyme A synthase Alpha subunit C-terminal domain | Descriptor: | NICKEL (II) ION, acetyl-CoA synthase subunit alpha | Authors: | Li, P. | Deposit date: | 2011-05-17 | Release date: | 2011-07-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Insights into the Mechanistic Role of the [Fe(4) S(4) ] Cubane in the A-Cluster {[Fe(4) S(4) ]-(SR)-[Ni(p) Ni(d) ]} of Acetyl-Coenzyme A Synthase. Chembiochem, 12, 2011
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3QYU
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![BU of 3qyu by Molmil](/molmil-images/mine/3qyu) | Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature | Descriptor: | Peptidyl-prolyl cis-trans isomerase F | Authors: | Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
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3QQ1
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![BU of 3qq1 by Molmil](/molmil-images/mine/3qq1) | |
3QQR
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![BU of 3qqr by Molmil](/molmil-images/mine/3qqr) | Crystal structure of Parasponia hemoglobin; Differential Heme Coordination is Linked to Quaternary Structure | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Non-legume hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kakar, S, Sturms, R, Savage, A, Nix, J.C, Dispirito, A, Hargrove, M.S. | Deposit date: | 2011-02-16 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structures of Parasponia and Trema hemoglobins: differential heme coordination is linked to quaternary structure. Biochemistry, 50, 2011
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3QSK
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![BU of 3qsk by Molmil](/molmil-images/mine/3qsk) | 5 Histidine Variant of the anti-RNase A VHH in Complex with RNAse A | Descriptor: | Engineered 5 Histidine anti-RNase A Camelid VHH Antibody Domain Variant, Ribonuclease pancreatic | Authors: | Murtaugh, M.L, Fanning, S.W, Sharma, T.M, Terry, A.M, Horn, J.R. | Deposit date: | 2011-02-21 | Release date: | 2011-08-10 | Last modified: | 2011-11-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A combinatorial histidine scanning library approach to engineer highly pH-dependent protein switches. Protein Sci., 20, 2011
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3RVA
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![BU of 3rva by Molmil](/molmil-images/mine/3rva) | Crystal structure of organophosphorus acid anhydrolase from Alteromonas macleodii | Descriptor: | MANGANESE (II) ION, NICKEL (II) ION, Organophosphorus acid anhydrolase, ... | Authors: | Stepankova, A, Koval, T, Ostergaard, L.H, Duskova, J, Skalova, T, Hasek, J, Dohnalek, J. | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Organophosphorus acid anhydrolase from Alteromonas macleodii: structural study and functional relationship to prolidases. Acta Crystallogr.,Sect.F, 69, 2013
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3Q7Q
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![BU of 3q7q by Molmil](/molmil-images/mine/3q7q) | Crystal Structure of Rad G-domain Q148A-GTP Analog Complex | Descriptor: | CALCIUM ION, GTP-binding protein RAD, MAGNESIUM ION, ... | Authors: | Sasson, Y, Navon-Perry, L, Hirsch, J.A. | Deposit date: | 2011-01-05 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties. J.Mol.Biol., 413, 2011
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3Q85
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![BU of 3q85 by Molmil](/molmil-images/mine/3q85) | Crystal Structure of Rem2 G-domain -GTP Analog Complex | Descriptor: | GTP-binding protein REM 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Navon-Perry, L, Hirsch, J.A. | Deposit date: | 2011-01-06 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.757 Å) | Cite: | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties. J.Mol.Biol., 413, 2011
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3Q7S
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![BU of 3q7s by Molmil](/molmil-images/mine/3q7s) | 2.1A resolution structure of the ChxR receiver domain containing I3C from Chlamydia trachomatis | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Transcriptional regulatory protein | Authors: | Hickey, J, Lovell, S, Battaile, K.P, Hu, L, Middaugh, C.R, Hefty, P.S. | Deposit date: | 2011-01-05 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The atypical response regulator protein ChxR has structural characteristics and dimer interface interactions that are unique within the OmpR/PhoB subfamily. J.Biol.Chem., 286, 2011
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3RJA
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![BU of 3rja by Molmil](/molmil-images/mine/3rja) | Crystal structure of carbohydrate oxidase from Microdochium nivale in complex with substrate analogue | Descriptor: | (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Duskova, J, Skalova, T, Kolenko, P, Stepankova, A, Koval, T, Hasek, J, Ostergaard, L.H, Fuglsang, C.C, Dohnalek, J. | Deposit date: | 2011-04-15 | Release date: | 2012-04-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and kinetic studies of carbohydrate oxidase from Microdochium nivale To be Published
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3RJ8
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![BU of 3rj8 by Molmil](/molmil-images/mine/3rj8) | Crystal structure of carbohydrate oxidase from Microdochium nivale | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carbohydrate oxidase, ... | Authors: | Duskova, J, Skalova, T, Stepankova, A, Koval, T, Hasek, J, Ostergaard, L.H, Fuglsang, C.C, Kolenko, P, Dohnalek, J. | Deposit date: | 2011-04-15 | Release date: | 2012-04-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and kinetic studies of carbohydrate oxidase from Microdochium nivale To be Published
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3U0L
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![BU of 3u0l by Molmil](/molmil-images/mine/3u0l) | Crystal structure of the engineered fluorescent protein mRuby, crystal form 1, pH 4.5 | Descriptor: | ACETATE ION, mRuby | Authors: | Akerboom, J, Looger, L.L, Schreiter, E.R. | Deposit date: | 2011-09-28 | Release date: | 2012-10-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics. Front Mol Neurosci, 6, 2013
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3U0M
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![BU of 3u0m by Molmil](/molmil-images/mine/3u0m) | |
3RFN
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![BU of 3rfn by Molmil](/molmil-images/mine/3rfn) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | BB_1wnu_001, ZINC ION | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-06 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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3RHU
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![BU of 3rhu by Molmil](/molmil-images/mine/3rhu) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | SC_1wnu | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-12 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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3U0K
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3TGM
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![BU of 3tgm by Molmil](/molmil-images/mine/3tgm) | X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(1H-imidazol-1-yl)-4,4-diphenyl-2 butanone | Descriptor: | 1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one, HEXANE-1,6-DIOL, Heme oxygenase 1, ... | Authors: | Rahman, M.N, Jia, Z. | Deposit date: | 2011-08-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A novel, "double-clamp" binding mode for human heme oxygenase-1 inhibition. Plos One, 7, 2012
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3TLL
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![BU of 3tll by Molmil](/molmil-images/mine/3tll) | tRNA-Guanine Transglycosylase in complex with N-Ethyl-lin-benzoguanine Inhibitor | Descriptor: | 6-(ethylamino)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Klebe, G, Immekus, F, Heine, A. | Deposit date: | 2011-08-30 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters. Chemistry, 18, 2012
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3U0N
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3UYC
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![BU of 3uyc by Molmil](/molmil-images/mine/3uyc) | Designed protein KE59 R8_2/7A | Descriptor: | Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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