3MV5
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![BU of 3mv5 by Molmil](/molmil-images/mine/3mv5) | Crystal structure of Akt-1-inhibitor complexes | Descriptor: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, GSK3-beta peptide, MANGANESE (II) ION, ... | Authors: | Pandit, J. | Deposit date: | 2010-05-03 | Release date: | 2010-06-02 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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3N4G
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![BU of 3n4g by Molmil](/molmil-images/mine/3n4g) | Crystal structure of native Cg10062 | Descriptor: | Putative tautomerase | Authors: | Guo, Y, Robertson, B.A, Hackert, M.L, Whitman, C.P. | Deposit date: | 2010-05-21 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal Structures of the Native and Inactivated Cg10062, a cis-3-Chloroacrylic Acid Dehalogenase from Corynebacterium glutamicum: Implications for the Evolution of cis-3-Chloroacrylic Acid Dehalogenase Activity in the Tautomerase Superfamily To be Published
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3MVJ
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![BU of 3mvj by Molmil](/molmil-images/mine/3mvj) | Human cyclic AMP-dependent protein kinase PKA inhibitor complex | Descriptor: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Pandit, J, Vajdos, F. | Deposit date: | 2010-05-04 | Release date: | 2010-06-02 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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4RGT
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![BU of 4rgt by Molmil](/molmil-images/mine/4rgt) | 2.0 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with 3-N-Acetylneuraminyl-N-acetyllactosamine. | Descriptor: | DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Putative uncharacterized protein | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-09-30 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with 3-N-Acetylneuraminyl-N-acetyllactosamine. TO BE PUBLISHED
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4R23
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![BU of 4r23 by Molmil](/molmil-images/mine/4r23) | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin | Descriptor: | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-08 | Release date: | 2014-09-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin To be Published
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4RH6
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![BU of 4rh6 by Molmil](/molmil-images/mine/4rh6) | 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 from Staphylococcus aureus. | Descriptor: | CHLORIDE ION, Exotoxin 3, putative | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-01 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 from Staphylococcus aureus. TO BE PUBLISHED
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3MPA
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![BU of 3mpa by Molmil](/molmil-images/mine/3mpa) | |
4RS2
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![BU of 4rs2 by Molmil](/molmil-images/mine/4rs2) | 1.55 Angstrom Crystal Structure of GNAT Family N-acetyltransferase (YhbS) from Escherichia coli in Complex with CoA | Descriptor: | COENZYME A, Predicted acyltransferase with acyl-CoA N-acyltransferase domain | Authors: | Minasov, G, Wawrzak, Z, Kuhn, M, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-11-06 | Release date: | 2014-11-19 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 1.55 Angstrom Crystal Structure of GNAT Family N-acetyltransferase (YhbS) from Escherichia coli in Complex with CoA. TO BE PUBLISHED
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3P7F
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![BU of 3p7f by Molmil](/molmil-images/mine/3p7f) | Structure of the human Langerin carbohydrate recognition domain | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION | Authors: | Skerra, A, Schiefner, A. | Deposit date: | 2010-10-12 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site. Mol.Immunol., 45, 2008
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1R9P
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![BU of 1r9p by Molmil](/molmil-images/mine/1r9p) | Solution NMR Structure Of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. | Descriptor: | NifU-like protein, ZINC ION | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-10-30 | Release date: | 2004-11-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site. J.Mol.Biol., 344, 2004
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4S1A
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![BU of 4s1a by Molmil](/molmil-images/mine/4s1a) | Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC 27405 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, TETRAETHYLENE GLYCOL, ... | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-01-09 | Release date: | 2015-01-28 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC27405 To be Published
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4S1W
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![BU of 4s1w by Molmil](/molmil-images/mine/4s1w) | Structure of a putative Glutamine--Fructose-6-Phosphate Aminotransferase from Staphylococcus aureus subsp. aureus Mu50 | Descriptor: | DI(HYDROXYETHYL)ETHER, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] | Authors: | Filippova, E.V, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-01-15 | Release date: | 2015-03-18 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of a putative Glutamine--Fructose-6-Phosphate Aminotransferase from Staphylococcus aureus subsp. aureus Mu50 To be Published
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3MVH
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![BU of 3mvh by Molmil](/molmil-images/mine/3mvh) | Crystal structure of Akt-1-inhibitor complexes | Descriptor: | GSK3-beta peptide, MANGANESE (II) ION, N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide, ... | Authors: | Pandit, J. | Deposit date: | 2010-05-04 | Release date: | 2010-06-02 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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4RO3
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![BU of 4ro3 by Molmil](/molmil-images/mine/4ro3) | 1.8 Angstrom Crystal Structure of the N-terminal Domain of Protein with Unknown Function from Vibrio cholerae. | Descriptor: | Hypothetical Protein, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Stogios, P.J, Skarina, T, Seed, K.D, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-27 | Release date: | 2014-12-03 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom Crystal Structure of the N-terminal Domain of Protein with Unknown Function from Vibrio cholerae. To be Published
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4RTF
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![BU of 4rtf by Molmil](/molmil-images/mine/4rtf) | Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, TETRAETHYLENE GLYCOL | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Endres, M, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2014-11-14 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv To be Published
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4RYK
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![BU of 4ryk by Molmil](/molmil-images/mine/4ryk) | Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e | Descriptor: | DI(HYDROXYETHYL)ETHER, L(+)-TARTARIC ACID, Lmo0325 protein, ... | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-12-15 | Release date: | 2015-01-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e To be Published
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3OV1
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![BU of 3ov1 by Molmil](/molmil-images/mine/3ov1) | |
4RSH
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![BU of 4rsh by Molmil](/molmil-images/mine/4rsh) | Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2 | Descriptor: | CHLORIDE ION, Lipolytic protein G-D-S-L family | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-07 | Release date: | 2014-11-19 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2 To be Published
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4S24
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![BU of 4s24 by Molmil](/molmil-images/mine/4s24) | 1.7 Angstrom Crystal Structure of of Putative Modulator of Drug Activity (apo- form) from Yersinia pestis CO92 | Descriptor: | DI(HYDROXYETHYL)ETHER, Modulator of drug activity B, PENTAETHYLENE GLYCOL, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-01-19 | Release date: | 2015-02-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1.7 Angstrom Crystal Structure of of Putative Modulator of Drug Activity (apo- form) from Yersinia pestis CO92. TO BE PUBLISHED
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4RWR
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![BU of 4rwr by Molmil](/molmil-images/mine/4rwr) | 2.1 Angstrom Crystal Structure of Stage II Sporulation Protein D from Bacillus anthracis | Descriptor: | Stage II sporulation protein D | Authors: | Minasov, G, Wawrzak, Z, Nocadello, S, Shuvalova, L, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-12-05 | Release date: | 2014-12-17 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of the SpoIID Lytic Transglycosylases Essential for Bacterial Sporulation. J.Biol.Chem., 291, 2016
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4S12
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![BU of 4s12 by Molmil](/molmil-images/mine/4s12) | 1.55 Angstrom Crystal Structure of N-acetylmuramic acid 6-phosphate Etherase from Yersinia enterocolitica. | Descriptor: | DI(HYDROXYETHYL)ETHER, N-acetylmuramic acid 6-phosphate etherase, SULFATE ION | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-01-07 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 1.55 Angstrom Crystal Structure of N-acetylmuramic acid 6-phosphate Etherase from Yersinia enterocolitica. TO BE PUBLISHED
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4RV4
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![BU of 4rv4 by Molmil](/molmil-images/mine/4rv4) | 2.65 Angstrom Resolution Crystal Structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP) | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, DI(HYDROXYETHYL)ETHER, Orotate phosphoribosyltransferase | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-11-24 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 2.65 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP) To be Published
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3MBT
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![BU of 3mbt by Molmil](/molmil-images/mine/3mbt) | Structure of monomeric Blc from E. coli | Descriptor: | Outer membrane lipoprotein blc | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2010-03-26 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical analyses reveal a monomeric state of the bacterial lipocalin Blc. Acta Crystallogr.,Sect.D, 66, 2010
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3O8P
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![BU of 3o8p by Molmil](/molmil-images/mine/3o8p) | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | Descriptor: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ... | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-08-03 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
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4RPC
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![BU of 4rpc by Molmil](/molmil-images/mine/4rpc) | Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TETRAETHYLENE GLYCOL, putative alpha/beta hydrolase | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-10-30 | Release date: | 2014-11-12 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense To be Published
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