2HUA
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2HTU
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![BU of 2htu by Molmil](/molmil-images/mine/2htu) | N8 neuraminidase in complex with peramivir | Descriptor: | 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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2HFW
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![BU of 2hfw by Molmil](/molmil-images/mine/2hfw) | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III | Descriptor: | Carbonic anhydrase 3, ZINC ION | Authors: | Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N. | Deposit date: | 2006-06-26 | Release date: | 2007-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III. Proteins, 68, 2007
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2HTW
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![BU of 2htw by Molmil](/molmil-images/mine/2htw) | N4 neuraminidase in complex with DANA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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1MKR
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![BU of 1mkr by Molmil](/molmil-images/mine/1mkr) | Crystal Structure of a Mutant Variant of Cytochrome c Peroxidase (Plate like crystals) | Descriptor: | Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | Deposit date: | 2002-08-29 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase J.Mol.Biol., 328, 2003
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1HB2
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![BU of 1hb2 by Molmil](/molmil-images/mine/1hb2) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2001-04-11 | Release date: | 2001-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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1ML2
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![BU of 1ml2 by Molmil](/molmil-images/mine/1ml2) | Crystal Structure of a Mutant Variant of Cytochrome c Peroxidase with Zn(II)-(20-oxo-Protoporphyrin IX) | Descriptor: | 20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II), Cytochrome c Peroxidase | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | Deposit date: | 2002-08-29 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase J.Mol.Biol., 328, 2003
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1F7C
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![BU of 1f7c by Molmil](/molmil-images/mine/1f7c) | CRYSTAL STRUCTURE OF THE BH DOMAIN FROM GRAF, THE GTPASE REGULATOR ASSOCIATED WITH FOCAL ADHESION KINASE | Descriptor: | RHOGAP PROTEIN | Authors: | Longenecker, K.L, Derewenda, U, Sheffield, P.J, Zheng, Y, Derewenda, Z.S. | Deposit date: | 2000-06-26 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the BH domain from graf and its implications for Rho GTPase recognition. J.Biol.Chem., 275, 2000
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2HU0
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![BU of 2hu0 by Molmil](/molmil-images/mine/2hu0) | N1 neuraminidase in complex with oseltamivir 1 | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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2HTY
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![BU of 2hty by Molmil](/molmil-images/mine/2hty) | N1 neuraminidase | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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2HU4
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![BU of 2hu4 by Molmil](/molmil-images/mine/2hu4) | N1 neuraminidase in complex with oseltamivir 2 | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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2JOD
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![BU of 2jod by Molmil](/molmil-images/mine/2jod) | Pac1-Rshort N-terminal EC domain Pacap(6-38) complex | Descriptor: | Pituitary adenylate cyclase-activating polypeptide, Pituitary adenylate cyclase-activating polypeptide type I receptor | Authors: | Olejniczak, E.T, Sun, C, Song, D, Davis-Taber, R.A, Barrett, L.W, Scott, V.E, Richardson, P.L, Pereda-lopez, A, Uchic, M.E, Solomon, L.R, Lake, M.R, Walter, K.A, Hajduk, P.J. | Deposit date: | 2007-03-07 | Release date: | 2007-05-22 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2JYW
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![BU of 2jyw by Molmil](/molmil-images/mine/2jyw) | Solution structure of C-terminal domain of APOBEC3G | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | Authors: | Chen, K, Harjes, E, Gross, P.J, Fahmy, A, Lu, Y, Shindo, K, Harris, R.S, Matsuo, H. | Deposit date: | 2007-12-20 | Release date: | 2008-02-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the DNA deaminase domain of the HIV-1 restriction factor APOBEC3G. Nature, 452, 2008
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1MFV
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![BU of 1mfv by Molmil](/molmil-images/mine/1mfv) | Probing the role of a mobile loop in human slaivary amylase: Structural studies on the loop-deleted enzyme | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, ... | Authors: | Ramasubbu, N, Ragunath, C, Mishra, P.J. | Deposit date: | 2002-08-13 | Release date: | 2002-11-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the role of a mobile loop in substrate binding and enzyme activity of
human salivary amylase. J.Mol.Biol., 325, 2003
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2LP1
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![BU of 2lp1 by Molmil](/molmil-images/mine/2lp1) | The solution NMR structure of the transmembrane C-terminal domain of the amyloid precursor protein (C99) | Descriptor: | C99 | Authors: | Barrett, P.J, Song, Y, Van Horn, W.D, Hustedt, E.J, Schafer, J.M, Hadziselimovic, A, Beel, A.J, Sanders, C.R. | Deposit date: | 2012-01-30 | Release date: | 2012-06-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The amyloid precursor protein has a flexible transmembrane domain and binds cholesterol. Science, 336, 2012
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5K4B
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![BU of 5k4b by Molmil](/molmil-images/mine/5k4b) | Structure of eukaryotic translation initiation factor 3 subunit D (eIF3d) cap binding domain from Nasonia vitripennis, Crystal form 1 | Descriptor: | CHLORIDE ION, Eukaryotic translation initiation factor 3 subunit D | Authors: | Kranzusch, P.J, Lee, A.S.Y, Doudna, J.A, Cate, J.H.D. | Deposit date: | 2016-05-20 | Release date: | 2016-07-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | eIF3d is an mRNA cap-binding protein that is required for specialized translation initiation. Nature, 536, 2016
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6DWA
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6DWC
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![BU of 6dwc by Molmil](/molmil-images/mine/6dwc) | Structure of the apo 4497 antibody Fab fragment | Descriptor: | 4497 Fab Heavy Chain, 4497 Fab Light Chain, ACETATE ION, ... | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2018-06-26 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid. MAbs, 10, 2018
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3E7I
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![BU of 3e7i by Molmil](/molmil-images/mine/3e7i) | Structure of murine inos oxygenase domain with inhibitor AR-C94864 | Descriptor: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E7T
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![BU of 3e7t by Molmil](/molmil-images/mine/3e7t) | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | Descriptor: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E6L
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![BU of 3e6l by Molmil](/molmil-images/mine/3e6l) | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4OYR
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![BU of 4oyr by Molmil](/molmil-images/mine/4oyr) | Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding | Descriptor: | 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2995 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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5KBK
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![BU of 5kbk by Molmil](/molmil-images/mine/5kbk) | Candida Albicans Superoxide Dismutase 5 (SOD5), E110A Mutant | Descriptor: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | Authors: | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-06-03 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.411 Å) | Cite: | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases. J.Biol.Chem., 291, 2016
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7MX5
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![BU of 7mx5 by Molmil](/molmil-images/mine/7mx5) | Crystal structure of TolB from Acinetobacter baumannii | Descriptor: | Tol-Pal system protein TolB | Authors: | Stogios, P.J, Evdokimova, E, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-18 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Crystal structure of TolB from Acinetobacter baumannii To Be Published
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7MWA
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![BU of 7mwa by Molmil](/molmil-images/mine/7mwa) | Crystal structure of 2-octaprenyl-6-methoxyphenol hydroxylase UbiH from Acinetobacter baumannii, apoenzyme | Descriptor: | 1,2-ETHANEDIOL, 2-polyprenyl-6-methoxyphenol 4-hydroxylase, CHLORIDE ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-16 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | UbiH from Acinetobacter baumannii To Be Published
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