3FHR
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![BU of 3fhr by Molmil](/molmil-images/mine/3fhr) | High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor complex | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 | Authors: | Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T. | Deposit date: | 2008-12-10 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand Protein Sci., 19, 2010
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3B3V
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![BU of 3b3v by Molmil](/molmil-images/mine/3b3v) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-22 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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1UXB
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![BU of 1uxb by Molmil](/molmil-images/mine/1uxb) | ADENOVIRUS AD19p FIBRE HEAD in complex with sialyl-lactose | Descriptor: | ACETATE ION, FIBER PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Burmeister, W.P, Guilligay, D, Cusack, S, Wadell, G, Arnberg, N. | Deposit date: | 2004-02-24 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites J.Virol., 78, 2004
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5V2O
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![BU of 5v2o by Molmil](/molmil-images/mine/5v2o) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ... | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | Deposit date: | 2017-03-06 | Release date: | 2017-10-04 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1XFA
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![BU of 1xfa by Molmil](/molmil-images/mine/1xfa) | Structure of NBD1 from murine CFTR- F508R mutant | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Thibodeau, P.H, Brautigam, C.A, Machius, M, Thomas, P.J. | Deposit date: | 2004-09-14 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Side chain and backbone contributions of Phe508 to CFTR folding. Nat.Struct.Mol.Biol., 12, 2005
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1SEZ
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![BU of 1sez by Molmil](/molmil-images/mine/1sez) | Crystal Structure of Protoporphyrinogen IX Oxidase | Descriptor: | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, 4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Koch, M, Breithaupt, C, Kiefersauer, R, Freigang, J, Huber, R, Messerschmidt, A. | Deposit date: | 2004-02-19 | Release date: | 2004-04-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of protoporphyrinogen IX oxidase: a key enzyme in haem and chlorophyll biosynthesis. Embo J., 23, 2004
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2WWG
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![BU of 2wwg by Molmil](/molmil-images/mine/2wwg) | Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2009-10-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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1XUQ
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![BU of 1xuq by Molmil](/molmil-images/mine/1xuq) | Crystal Structure of SodA-1 (BA4499) from Bacillus anthracis at 1.8A Resolution. | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | Authors: | Boucher, I.W, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S. | Deposit date: | 2004-10-26 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of two superoxide dismutases from Bacillus anthracis reveal a novel active centre. Acta Crystallogr.,Sect.F, 61, 2005
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1SQK
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![BU of 1sqk by Molmil](/molmil-images/mine/1sqk) | CRYSTAL STRUCTURE OF CIBOULOT IN COMPLEX WITH SKELETAL ACTIN | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Hertzog, M, Van Heijenoort, C, Didry, D, Gaudier, M, Gigant, B, Coutant, J, Didelot, G, Preat, T, Knossow, M, Guittet, E, Carlier, M.F. | Deposit date: | 2004-03-19 | Release date: | 2004-06-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The beta-Thymosin/WH2 Domain; Structural Basis for the Switch from Inhibition to Promotion of Actin Assembly Cell(Cambridge,Mass.), 117, 2004
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5UUZ
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![BU of 5uuz by Molmil](/molmil-images/mine/5uuz) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P200 | Descriptor: | 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-17 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.496 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P200 To Be Published
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5UZS
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![BU of 5uzs by Molmil](/molmil-images/mine/5uzs) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P200 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-27 | Release date: | 2017-03-22 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.367 Å) | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from
Clostridium perfringens
Complexed with IMP and P200 To Be Published
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3DQG
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![BU of 3dqg by Molmil](/molmil-images/mine/3dqg) | Peptide-binding domain of heat shock 70 kDa protein F, mitochondrial precursor, from Caenorhabditis elegans. | Descriptor: | Heat shock 70 kDa protein F | Authors: | Osipiuk, J, Mulligan, R, Gu, M, Voisine, C, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-07-09 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | X-ray crystal structure of peptide-binding domain of heat shock 70 kDa protein F, mitochondrial precursor, from Caenorhabditis elegans. To be Published
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2WKB
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![BU of 2wkb by Molmil](/molmil-images/mine/2wkb) | Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium berghei | Descriptor: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | Authors: | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | Deposit date: | 2009-06-08 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Crystal Structures of Macrophage Migration Inhibition Factor (Mif) from Plasmodium Falciparum and Plasmodium Berghei. Protein Sci., 18, 2009
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1ZZU
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![BU of 1zzu by Molmil](/molmil-images/mine/1zzu) | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2005-06-14 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry, 44, 2005
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1UXA
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![BU of 1uxa by Molmil](/molmil-images/mine/1uxa) | ADENOVIRUS AD37 FIBRE HEAD in complex with sialyl-lactose | Descriptor: | ACETATE ION, FIBER PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Burmeister, W.P, Guilligay, D, Cusack, S, Wadell, G, Arnberg, N. | Deposit date: | 2004-02-24 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites J.Virol., 78, 2004
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5V2G
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![BU of 5v2g by Molmil](/molmil-images/mine/5v2g) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | Descriptor: | 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | Deposit date: | 2017-03-03 | Release date: | 2017-09-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3DNX
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![BU of 3dnx by Molmil](/molmil-images/mine/3dnx) | |
2A1Y
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![BU of 2a1y by Molmil](/molmil-images/mine/2a1y) | Crystal Structure of GuaC-GMP complex from Bacillus anthracis at 2.26 A Resolution. | Descriptor: | GMP reductase, GUANOSINE-5'-MONOPHOSPHATE | Authors: | Grenha, R, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE) | Deposit date: | 2005-06-21 | Release date: | 2006-07-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of GuaC-GMP complex from Bacillus anthracis at 2.26 A resolution. To be Published
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2WGU
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![BU of 2wgu by Molmil](/molmil-images/mine/2wgu) | Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N- methoxycarbonyl -3,5-dideoxy- D-glycero-a-D-galacto-2-nonulopyranosylonic acid | Descriptor: | 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION | Authors: | Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. | Deposit date: | 2009-04-27 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis. J.Med.Chem., 52, 2009
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3DPS
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![BU of 3dps by Molmil](/molmil-images/mine/3dps) | |
3B3W
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![BU of 3b3w by Molmil](/molmil-images/mine/3b3w) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, SODIUM ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-22 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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2B8T
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![BU of 2b8t by Molmil](/molmil-images/mine/2b8t) | Crystal structure of Thymidine Kinase from U.urealyticum in complex with thymidine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, THYMIDINE, Thymidine kinase, ... | Authors: | Kosinska, U, Carnrot, C, Eriksson, S, Wang, L, Eklund, H. | Deposit date: | 2005-10-10 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the substrate complex of thymidine kinase from Ureaplasma urealyticum and investigations of possible drug targets for the enzyme FEBS Lett., 272, 2005
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5USX
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![BU of 5usx by Molmil](/molmil-images/mine/5usx) | Crystal structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 in complex with NADP and FAD | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Chang, C, Grimshaw, S, Maltseva, N, Mulligan, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-14 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Crystal structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 in complex with NADP and FAD To Be Published
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3B7I
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![BU of 3b7i by Molmil](/molmil-images/mine/3b7i) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, LEUCINE PHOSPHONIC ACID, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-30 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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2WWF
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![BU of 2wwf by Molmil](/molmil-images/mine/2wwf) | Plasmodium falciparum thymidylate kinase in complex with TMP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SODIUM ION, ... | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2009-10-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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