1TSZ
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![BU of 1tsz by Molmil](/molmil-images/mine/1tsz) | THYMIDYLATE SYNTHASE R179K MUTANT | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1995-12-05 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase. Protein Eng., 9, 1996
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4EH1
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![BU of 4eh1 by Molmil](/molmil-images/mine/4eh1) | Crystal Structure of the Flavohem-like-FAD/NAD Binding Domain of Nitric Oxide Dioxygenase from Vibrio cholerae O1 biovar El Tor | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoprotein, ... | Authors: | Kim, Y, Gu, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-02 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Flavohem-like-FAD/NAD Binding Domain of Nitric Oxide Dioxygenase from Vibrio cholerae O1 biovar El Tor To be Published
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1TSW
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![BU of 1tsw by Molmil](/molmil-images/mine/1tsw) | THYMIDYLATE SYNTHASE R179A MUTANT | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1995-12-05 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase. Protein Eng., 9, 1996
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1TRU
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![BU of 1tru by Molmil](/molmil-images/mine/1tru) | |
4EQH
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![BU of 4eqh by Molmil](/molmil-images/mine/4eqh) | |
1TXM
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![BU of 1txm by Molmil](/molmil-images/mine/1txm) | SCORPION TOXIN (MAUROTOXIN) FROM SCORPIO MAURUS, NMR, 35 STRUCTURES | Descriptor: | MAUROTOXIN | Authors: | Blanc, E, Sabatier, J.-M, Kharrat, R, Meunier, S, El Ayeb, M, Van Rietschoten, J, Darbon, H. | Deposit date: | 1996-11-19 | Release date: | 1997-06-05 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of maurotoxin, a scorpion toxin from Scorpio maurus, with high affinity for voltage-gated potassium channels. Proteins, 29, 1997
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4ER9
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![BU of 4er9 by Molmil](/molmil-images/mine/4er9) | Crystal structure of cytochrome b562 from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Tan, K, Hatzos-Skintges, C, Jedrzejczak, R, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | Deposit date: | 2012-04-19 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Crystal structure of cytochrome b562 from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S To be Published
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1TRW
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![BU of 1trw by Molmil](/molmil-images/mine/1trw) | |
1TRV
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![BU of 1trv by Molmil](/molmil-images/mine/1trv) | |
4EUG
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![BU of 4eug by Molmil](/molmil-images/mine/4eug) | Crystallographic and Enzymatic Studies of an Active Site Variant H187Q of Escherichia Coli Uracil DNA Glycosylase: Crystal Structures of Mutant H187Q and its Uracil Complex | Descriptor: | PROTEIN (GLYCOSYLASE) | Authors: | Xiao, G, Tordova, M, Drohat, A.C, Jagadeesh, J, Stivers, J.T, Gilliland, G.L. | Deposit date: | 1998-12-27 | Release date: | 1999-07-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Heteronuclear NMR and crystallographic studies of wild-type and H187Q Escherichia coli uracil DNA glycosylase: electrophilic catalysis of uracil expulsion by a neutral histidine 187. Biochemistry, 38, 1999
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4EEL
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![BU of 4eel by Molmil](/molmil-images/mine/4eel) | Crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) with bound citrate and sodium | Descriptor: | Beta-phosphoglucomutase-related protein, CITRIC ACID, SODIUM ION | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-03-28 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of HAD HYDROLASE DR_1622 Deinococcus radiodurans R1 (TARGET EFI-501256) To be Published
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4EU2
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![BU of 4eu2 by Molmil](/molmil-images/mine/4eu2) | Crystal structure of 20s proteasome with novel inhibitor K-7174 | Descriptor: | 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane, Proteasome component C1, Proteasome component C11, ... | Authors: | Kikuchi, J, Shibayama, N, Yamada, S, Wada, T, Nobuyoshi, M, Izumi, T, Akutsu, M, Kano, Y, Ohki, M, Sugiyama, K, Park, S.-Y, Furukawa, Y. | Deposit date: | 2012-04-25 | Release date: | 2013-05-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.509 Å) | Cite: | Homopiperazine derivatives as a novel class of proteasome inhibitors with a unique mode of proteasome binding. Plos One, 8, 2013
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4END
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![BU of 4end by Molmil](/molmil-images/mine/4end) | Crystal structure of anti-HIV actinohivin in complex with alpha-1,2-mannobiose (P 2 21 21 form) | Descriptor: | ACETONITRILE, Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | Authors: | Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A. | Deposit date: | 2012-04-13 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Matured structure of anti-HIV lectin actinohivin in complex with 1,2-mannobiose To be Published
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4E4R
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![BU of 4e4r by Molmil](/molmil-images/mine/4e4r) | EutD phosphotransacetylase from Staphylococcus aureus | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Osipiuk, J, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-03-13 | Release date: | 2012-03-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | EutD phosphotransacetylase from Staphylococcus aureus. To be Published
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1TPS
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![BU of 1tps by Molmil](/molmil-images/mine/1tps) | |
1TYN
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![BU of 1tyn by Molmil](/molmil-images/mine/1tyn) | ATOMIC STRUCTURE OF THE TRYPSIN-CYCLOTHEONAMIDE A COMPLEX: LESSONS FOR THE DESIGN OF SERINE PROTEASE INHIBITORS | Descriptor: | BETA-TRYPSIN, CYCLOTHEONAMIDE A | Authors: | Lee, A.Y, Hagihara, M, Karmacharya, R, Albers, M.W, Schreiber, S.L, Clardy, J. | Deposit date: | 1994-09-19 | Release date: | 1995-01-26 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Atomic Structure of the Trypsin-Cyclotheonamide a Complex: Lessons for the Design of Serine Protease Inhibitors J.Am.Chem.Soc., 115, 1993
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4E6W
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![BU of 4e6w by Molmil](/molmil-images/mine/4e6w) | ClbP in complex with 3-aminophenyl boronic acid | Descriptor: | ClbP peptidase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION | Authors: | Cougnoux, A, Delmas, J, Bonnet, R. | Deposit date: | 2012-03-16 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The NRP peptidase ClbP as a target for the inhibition
of genotoxicity, cell proliferation and tumorogenesis
mediated by pks-harboring bacteria To be Published
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4E9B
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![BU of 4e9b by Molmil](/molmil-images/mine/4e9b) | Structure of Peptide Deformylase form Helicobacter Pylori in complex with actinonin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACTINONIN, COBALT (II) ION, ... | Authors: | Cui, K, Zhu, L, Lu, W, Huang, J. | Deposit date: | 2012-03-20 | Release date: | 2013-04-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of Novel Peptide Deformylase Inhibitors from Natural Products To be Published
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4E9U
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![BU of 4e9u by Molmil](/molmil-images/mine/4e9u) | Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with a thiocyanate inhibitor | Descriptor: | 2-(4-phenoxyphenoxy)ethyl thiocyanate, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Lin, F.-Y, Axelson, J, Liu, Y.-L, Zhnag, Y, Oldfield, E. | Deposit date: | 2012-03-21 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem., 55, 2012
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4EWQ
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![BU of 4ewq by Molmil](/molmil-images/mine/4ewq) | Human p38 alpha MAPK in complex with a pyridazine based inhibitor | Descriptor: | 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ... | Authors: | Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-27 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
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4EX7
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![BU of 4ex7 by Molmil](/molmil-images/mine/4ex7) | Crystal structure of the alnumycin P phosphatase in complex with free phosphate | Descriptor: | AlnB, BORIC ACID, MAGNESIUM ION, ... | Authors: | Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M. | Deposit date: | 2012-04-30 | Release date: | 2013-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway. Proc.Natl.Acad.Sci.USA, 110, 2013
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1UH6
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![BU of 1uh6 by Molmil](/molmil-images/mine/1uh6) | Solution Structure of the murine ubiquitin-like 5 protein from RIKEN cDNA 0610031K06 | Descriptor: | ubiquitin-like 5 | Authors: | Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-25 | Release date: | 2003-12-25 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structure of the murine ubiquitin-like 5 protein from RIKEN cDNA 0610031K06 To be Published
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1UHS
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![BU of 1uhs by Molmil](/molmil-images/mine/1uhs) | Solution structure of mouse homeodomain-only protein HOP | Descriptor: | homeodomain only protein | Authors: | Saito, K, Koshiba, S, Inoue, M, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Matsuda, T, Seki, E, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-07-10 | Release date: | 2004-07-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of mouse homeodomain-only protein HOP To be Published
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4E5U
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![BU of 4e5u by Molmil](/molmil-images/mine/4e5u) | The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with thymidine monophosphate. | Descriptor: | CALCIUM ION, THYMIDINE-5'-PHOSPHATE, Thymidylate kinase | Authors: | Tan, K, Joachimiak, G, Jedrzejczak, R, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-03-14 | Release date: | 2012-03-28 | Method: | X-RAY DIFFRACTION (1.812 Å) | Cite: | The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with thymidine monophosphate. To be Published
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4EJO
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![BU of 4ejo by Molmil](/molmil-images/mine/4ejo) | Crystal structure of padr family transcriptional regulator from Eggerthella lenta DSM 2243 | Descriptor: | ETHANOL, Transcriptional regulator, PadR-like family | Authors: | Chang, C, Li, H, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-04-06 | Release date: | 2012-04-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of padr family transcriptional regulator from Eggerthella lenta DSM 2243 TO BE PUBLISHED
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