1OON
 
 | | Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN27217 | | Descriptor: | 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | | Deposit date: | 2003-03-04 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
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1OO6
 | | Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862 | | Descriptor: | 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | | Deposit date: | 2003-03-03 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
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1K4R
 | | Structure of Dengue Virus | | Descriptor: | MAJOR ENVELOPE PROTEIN E | | Authors: | Kuhn, R.J, Zhang, W, Rossmann, M.G, Pletnev, S.V, Corver, J, Lenches, E, Jones, C.T, Mukhopadhyay, S, Chipman, P.R, Strauss, E.G, Baker, T.S, Strauss, J.H. | | Deposit date: | 2001-10-08 | | Release date: | 2002-03-13 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (24 Å) | | Cite: | Structure of dengue virus: implications for flavivirus organization, maturation, and fusion.
Cell(Cambridge,Mass.), 108, 2002
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3H8A
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1OOQ
 | | Nitroreductase from e-coli in complex with the inhibitor dicoumarol | | Descriptor: | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | | Deposit date: | 2003-03-04 | | Release date: | 2003-04-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
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1Y6V
 | | Structure of E. coli Alkaline Phosphatase in presence of cobalt at 1.60 A resolution | | Descriptor: | Alkaline phosphatase, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Wang, J, Stieglitz, K, Kantrowitz, E.R. | | Deposit date: | 2004-12-07 | | Release date: | 2005-06-21 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Metal Specificity Is Correlated with Two Crucial Active Site Residues in Escherichia coli Alkaline Phosphatase(,).
Biochemistry, 44, 2005
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1Y7A
 | | Structure of D153H/K328W E. coli alkaline phosphatase in presence of cobalt at 1.77 A resolution | | Descriptor: | Alkaline phosphatase, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Wang, J, Stieglitz, K, Kantrowitz, E.R. | | Deposit date: | 2004-12-08 | | Release date: | 2005-06-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Metal Specificity Is Correlated with Two Crucial Active Site Residues in Escherichia coli Alkaline Phosphatase(,).
Biochemistry, 44, 2005
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1KPM
 | | First Structural Evidence of a Specific Inhibition of Phospholipase A2 by Vitamin E and its Implications in Inflammation: Crystal Structure of the Complex Formed between Phospholipase A2 and Vitamin E at 1.8 A Resolution. | | Descriptor: | ACETIC ACID, Phospholipase A2, VITAMIN E | | Authors: | Chandra, V, Jasti, J, Kaur, P, Betzel, C, Srinivasan, A, Singh, T.P. | | Deposit date: | 2002-01-01 | | Release date: | 2002-07-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | First Structural Evidence of a Specific Inhibition of Phospholipase A2 by alpha-Tocopherol (Vitamin E) and its
Implications in Inflammation: Crystal Structure of the Complex Formed Between Phospholipase A2 and
alpha-Tocopherol at 1.8 A Resolution
J.Mol.Biol., 320, 2002
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4Z3P
 | | MATE transporter ClbM in complex with Rb+ | | Descriptor: | CACODYLATE ION, Putative drug/sodium antiporter, RUBIDIUM ION | | Authors: | Mousa, J.J, Bruner, S.D. | | Deposit date: | 2015-03-31 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
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1IB6
 | | CRYSTAL STRUCTURE OF R153C E. COLI MALATE DEHYDROGENASE | | Descriptor: | MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Bell, J.K, Yennawar, H.P, Wright, S.K, Thompson, J.R, Viola, R.E, Banaszak, L.J. | | Deposit date: | 2001-03-27 | | Release date: | 2001-09-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Analyses of a Malate Dehydrogenase with a Variable Active Site
J.Biol.Chem., 276, 2001
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1Z66
 | | NMR solution structure of domain III of E-protein of tick-borne Langat flavivirus (no RDC restraints) | | Descriptor: | Major envelope protein E | | Authors: | Mukherjee, M, Dutta, K, White, M.A, Cowburn, D, Fox, R.O. | | Deposit date: | 2005-03-21 | | Release date: | 2006-03-28 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure and backbone dynamics of domain III of the E protein of tick-borne Langat flavivirus suggests a potential site for molecular recognition.
Protein Sci., 15, 2006
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2V43
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3GOL
 | | HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d | | Descriptor: | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, MAGNESIUM ION, RNA-directed RNA polymerase | | Authors: | Nyanguile, O, De Bondt, H. | | Deposit date: | 2009-03-19 | | Release date: | 2009-06-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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9F3G
 | | Human carbonic anhydrase XII with 3-(cyclooctylamino)-2,6-difluoro-5-((4-hydroxybutyl)amino)-4-((3-hydroxypropyl)sulfonyl)benzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,6-bis(fluoranyl)-5-(4-oxidanylbutylamino)-4-[(~{E})-3-oxidanylprop-1-enyl]sulfonyl-benzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Manakova, E, Grazulis, S, Smirnov, A, Paketuryte, V. | | Deposit date: | 2024-04-25 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Human carbonic anhydrase XII with 3-(cyclooctylamino)-2,6-difluoro-5-((4-hydroxybutyl)amino)-4-((3-hydroxypropyl)sulfonyl)benzenesulfonamide
To Be Published
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5K5B
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | | Deposit date: | 2016-05-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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9BSH
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9BSM
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7KWV
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6J5G
 | | Complex structure of MAb 4.2-scFv with tick-borne encephalitis virus envelope protein | | Descriptor: | Envelope protein E, antibody heavy chain, antibody light chain | | Authors: | Yang, X, Qi, J, Peng, R, Dai, L, Gould, E.A, Tien, P, Gao, G.F. | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.291 Å) | | Cite: | Molecular Basis of a Protective/Neutralizing Monoclonal Antibody Targeting Envelope Proteins of both Tick-Borne Encephalitis Virus and Louping Ill Virus.
J. Virol., 93, 2019
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6J5C
 | | Louping ill virus envelope protein | | Descriptor: | Envelope protein E | | Authors: | Yang, X, Qi, J, Peng, R, Dai, L, Gould, E.A, Tien, P, Gao, G.F. | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Molecular Basis of a Protective/Neutralizing Monoclonal Antibody Targeting Envelope Proteins of both Tick-Borne Encephalitis Virus and Louping Ill Virus.
J. Virol., 93, 2019
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7LGX
 | | The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-01-21 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution.
To be Published
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9G6K
 | | LSU structure derived from the LSU sample of the mitoribosome from T. gondii. | | Descriptor: | AMP-dependent synthetase/ligase domain-containing protein, AP2 domain transcription factor AP2IV-1, AP2 domain transcription factor AP2VIIb-2, ... | | Authors: | Rocha, R.E.O, Barua, S, Boissier, F, Nguyen, T.T, Hashem, Y. | | Deposit date: | 2024-07-18 | | Release date: | 2024-12-11 | | Last modified: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Apicomplexan mitoribosome from highly fragmented rRNAs to a functional machine.
Nat Commun, 15, 2024
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4EFA
 | | Crystal Structure of the Heterotrimeric EGChead Peripheral Stalk Complex of the Yeast Vacuolar ATPase - second conformation | | Descriptor: | SULFATE ION, V-type proton ATPase subunit C, V-type proton ATPase subunit E, ... | | Authors: | Oot, R.A, Huang, L.S, Berry, E.A, Wilkens, S. | | Deposit date: | 2012-03-29 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8163 Å) | | Cite: | Crystal Structure of the Yeast Vacuolar ATPase Heterotrimeric EGC(head) Peripheral Stalk Complex.
Structure, 20, 2012
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1NC1
 | | Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with 5'-methylthiotubercidin (MTH) | | Descriptor: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2002-12-04 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
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4QMO
 | | MST3 IN COMPLEX WITH Imidazolo-oxindole PKR inhibitor C16 | | Descriptor: | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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