6MLO
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![BU of 6mlo by Molmil](/molmil-images/mine/6mlo) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) Y14A mutant from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-27 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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4X47
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![BU of 4x47 by Molmil](/molmil-images/mine/4x47) | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Neu5Ac2en | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Anhydrosialidase, PHOSPHATE ION | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-02 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
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2IXG
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![BU of 2ixg by Molmil](/molmil-images/mine/2ixg) | Crystal structure of the ATPase domain of TAP1 with ATP (S621A, G622V, D645N mutant) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | Deposit date: | 2006-07-08 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter. Mol.Cell, 24, 2001
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4WUN
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![BU of 4wun by Molmil](/molmil-images/mine/4wun) | Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE) at 1.65 angstrom | Descriptor: | Fibroblast growth factor receptor 1, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide | Authors: | Squire, C.J, Yosaatmadja, C.J. | Deposit date: | 2014-11-02 | Release date: | 2014-11-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The 1.65 angstrom resolution structure of the complex of AZD4547 with the kinase domain of FGFR1 displays exquisite molecular recognition. Acta Crystallogr.,Sect.D, 71, 2015
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4WXK
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2JHZ
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2JJR
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![BU of 2jjr by Molmil](/molmil-images/mine/2jjr) | V232K, N236D-trichosanthin | Descriptor: | DI(HYDROXYETHYL)ETHER, RIBOSOME-INACTIVATING PROTEIN ALPHA-TRICHOSANTHIN, SULFATE ION, ... | Authors: | Too, P.H, Ma, M.K, Mak, A.N, Tung, C.K, Zhu, G, Au, S.W, Wong, K.B, Shaw, P.C. | Deposit date: | 2008-04-21 | Release date: | 2008-12-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The C-Terminal Fragment of the Ribosomal P Protein Complexed to Trichosanthin Reveals the Interaction between the Ribosome-Inactivating Protein and the Ribosome. Nucleic Acids Res., 37, 2009
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4WX2
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![BU of 4wx2 by Molmil](/molmil-images/mine/4wx2) | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-site | Descriptor: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2014-11-13 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water. Biochim.Biophys.Acta, 1864, 2016
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4WNA
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![BU of 4wna by Molmil](/molmil-images/mine/4wna) | Structure of the Nitrogenase MoFe Protein from Azotobacter vinelandii Pressurized with Xenon | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Morrison, C.N, Hoy, J.A, Zhang, L, Einsle, O, Rees, D.C. | Deposit date: | 2014-10-11 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites. Biochemistry, 54, 2015
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4WPH
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4WR3
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![BU of 4wr3 by Molmil](/molmil-images/mine/4wr3) | Y274F alanine racemase from E. coli | Descriptor: | Alanine racemase, biosynthetic, GLYCEROL, ... | Authors: | Squire, C.J, Yosaatmadja, Y, Patrick, W.M. | Deposit date: | 2014-10-23 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes. J.Biol.Chem., 291, 2016
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4YIP
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![BU of 4yip by Molmil](/molmil-images/mine/4yip) | X-ray structure of the iron/manganese cambialistic superoxide dismutase from Streptococcus mutans | Descriptor: | FE (III) ION, Superoxide dismutase [Mn/Fe] | Authors: | Russo Krauss, I, Merlino, A, Pica, A, Sica, F. | Deposit date: | 2015-03-02 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fine tuning of metal-specific activity in the Mn-like group of cambialistic superoxide dismutases Rsc Adv, 5, 2015
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4YNQ
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![BU of 4ynq by Molmil](/molmil-images/mine/4ynq) | TREX1-dsDNA complex | Descriptor: | DNA (24-MER), DNA (5'-D(P*GP*TP*GP*CP*TP*GP*AP*CP*GP*TP*CP*AP*GP*CP*AP*CP*GP*AP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Fye, J.M, Harvey, S, Perrino, F.W, Hollis, T. | Deposit date: | 2015-03-10 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Exonuclease TREX1 degrades double-stranded DNA to prevent spontaneous lupus-like inflammatory disease. Proc.Natl.Acad.Sci.USA, 112, 2015
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4YPG
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4YEI
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![BU of 4yei by Molmil](/molmil-images/mine/4yei) | Beta1mut synthetic solenoid protein | Descriptor: | beta1mut | Authors: | Murray, J.W, Kraatz, S. | Deposit date: | 2015-02-24 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
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4WQQ
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![BU of 4wqq by Molmil](/molmil-images/mine/4wqq) | Structure of EPNH mutant of CEL-I | Descriptor: | CALCIUM ION, Lectin CEL-I, N-acetyl-D-galactosamine-specific C-type, ... | Authors: | Unno, H, Hatakeyama, T. | Deposit date: | 2014-10-22 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mannose-recognition mutant of the galactose/N-acetylgalactosamine-specific C-type lectin CEL-I engineered by site-directed mutagenesis. Biochim.Biophys.Acta, 1850, 2015
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3UK3
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![BU of 3uk3 by Molmil](/molmil-images/mine/3uk3) | Crystal structure of ZNF217 bound to DNA | Descriptor: | 5'-D(*AP*AP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', CHLORIDE ION, ... | Authors: | Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P. | Deposit date: | 2011-11-08 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rediscovering DNA recognition by classical Zinc Fingers. To be Published
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4X6K
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![BU of 4x6k by Molmil](/molmil-images/mine/4x6k) | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Siastatin B | Descriptor: | (2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium, ACETYL GROUP, Anhydrosialidase | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-08 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
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5O8V
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6NI8
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4WRB
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![BU of 4wrb by Molmil](/molmil-images/mine/4wrb) | Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-190) | Descriptor: | 4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Robertson, M.J, Baxter, R.H.G, Jorgensen, W.L. | Deposit date: | 2014-10-23 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Design, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor. J.Am.Chem.Soc., 137, 2015
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4X4A
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![BU of 4x4a by Molmil](/molmil-images/mine/4x4a) | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with 2,7-Anhydro-Neu5Ac | Descriptor: | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID, ACETYL GROUP, Anhydrosialidase, ... | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-02 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
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4YJG
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![BU of 4yjg by Molmil](/molmil-images/mine/4yjg) | Crystal structure of DAAO(Y228L/R283G) variant (R-3-amino 1-phenylbutane binding form) | Descriptor: | (2R)-4-phenylbutan-2-amine, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Nakano, S, Yasukawa, K, Kawahara, N, Ishitsubo, E, Tokiwa, H, Asano, Y. | Deposit date: | 2015-03-03 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of DAAO variant To Be Published
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2GC2
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4YW2
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![BU of 4yw2 by Molmil](/molmil-images/mine/4yw2) | Crystal Structure of Streptococcus pneumoniae NanC, complex 6'SL | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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