6WJT
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![BU of 6wjt by Molmil](/molmil-images/mine/6wjt) | 2.0 Angstrom Resolution Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with S-Adenosyl-L-Homocysteine | Descriptor: | 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ... | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-14 | Release date: | 2020-04-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design. Sci.Signal., 13, 2020
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7N1M
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![BU of 7n1m by Molmil](/molmil-images/mine/7n1m) | Crystal Structure of the Class D Beta-lactamase OXA-935 from Pseudomonas aeruginosa, Orthorhombic Crystal Form | Descriptor: | Beta-lactamase OXA-935, SULFATE ION | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.B, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-27 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa. Antimicrob.Agents Chemother., 66, 2022
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6MDQ
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![BU of 6mdq by Molmil](/molmil-images/mine/6mdq) | Crystal structure of equine serum albumin in complex with testosterone | Descriptor: | CITRATE ANION, Serum albumin, TESTOSTERONE | Authors: | Czub, M.P, Majorek, K.A, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-05 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Testosterone meets albumin - the molecular mechanism of sex hormone transport by serum albumins. Chem Sci, 10, 2019
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7L5V
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![BU of 7l5v by Molmil](/molmil-images/mine/7l5v) | Crystal Structure of the Class D Beta-lactamase OXA-935 from Pseudomonas aeruginosa, Monoclinic Crystal Form | Descriptor: | Beta-lactamase | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-12-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa. Antimicrob.Agents Chemother., 66, 2022
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6UAP
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![BU of 6uap by Molmil](/molmil-images/mine/6uap) | Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound | Descriptor: | (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-09-11 | Release date: | 2019-10-30 | Method: | X-RAY DIFFRACTION (2.745 Å) | Cite: | Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound To be Published
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7UUO
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![BU of 7uuo by Molmil](/molmil-images/mine/7uuo) | Crystal structure of aminoglycoside resistance enzyme ApmA H135A mutant, complex with tobramycin and coenzyme A | Descriptor: | 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, COENZYME A, ... | Authors: | Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-04-28 | Release date: | 2022-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance. Nat.Chem.Biol., 20, 2024
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6DXN
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![BU of 6dxn by Molmil](/molmil-images/mine/6dxn) | 1.95 Angstrom Resolution Crystal Structure of DsbA Disulfide Interchange Protein from Klebsiella pneumoniae. | Descriptor: | TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-29 | Release date: | 2018-07-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6UB9
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![BU of 6ub9 by Molmil](/molmil-images/mine/6ub9) | Crystal structure of tryptophan synthase from M. tuberculosis - AMINOACRYLATE- AND BRD6309-BOUND FORM | Descriptor: | (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ... | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-09-11 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.783 Å) | Cite: | Crystal structure of tryptophan synthase from M. tuberculosis - AMINOACRYLATE- AND BRD6309-BOUND FORM To be Published
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8UFM
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![BU of 8ufm by Molmil](/molmil-images/mine/8ufm) | Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2 | Descriptor: | ACETATE ION, FORMIC ACID, Papain-like protease nsp3, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-10-04 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2 To Be Published
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8UFL
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![BU of 8ufl by Molmil](/molmil-images/mine/8ufl) | Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus | Descriptor: | CHLORIDE ION, Papain-like protease nsp3, SULFATE ION | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-10-04 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus To Be Published
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7BAT
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![BU of 7bat by Molmil](/molmil-images/mine/7bat) | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4 | Descriptor: | CC-Type2-(GgIaId)4, N-PROPANOL | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | Deposit date: | 2020-12-16 | Release date: | 2021-04-28 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states. Chem Sci, 12, 2021
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7BAS
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![BU of 7bas by Molmil](/molmil-images/mine/7bas) | A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe. | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe. | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | Deposit date: | 2020-12-16 | Release date: | 2021-04-28 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states. Chem Sci, 12, 2021
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7BAV
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![BU of 7bav by Molmil](/molmil-images/mine/7bav) | A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe. | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | Deposit date: | 2020-12-16 | Release date: | 2021-04-28 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states. Chem Sci, 12, 2021
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7JPE
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![BU of 7jpe by Molmil](/molmil-images/mine/7jpe) | Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography | Descriptor: | 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ... | Authors: | Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-08-07 | Release date: | 2020-08-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | 2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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8SFG
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![BU of 8sfg by Molmil](/molmil-images/mine/8sfg) | Crystal Structure of the Open Unbound Catalytically Inactive Makes Caterpillars Floppy-like (MCF) Effector from Vibrio vulnificus CMCP6 | Descriptor: | Autotransporter adhesin, CHLORIDE ION, SULFATE ION | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Herrera, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-04-11 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Open Unbound Catalytically Inactive Makes Caterpillars Floppy-like (MCF) Effector from Vibrio vulnificus CMCP6. To Be Published
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7JHE
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![BU of 7jhe by Molmil](/molmil-images/mine/7jhe) | Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with 2'-O-methylated m7GpppA Cap-1 and SAH Determined by Fixed-Target Serial Crystallography | Descriptor: | 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, ... | Authors: | Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-20 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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6PFN
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![BU of 6pfn by Molmil](/molmil-images/mine/6pfn) | Succinyl-CoA synthase from Francisella tularensis | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ... | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-06-21 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Succinyl-CoA synthase from Francisella tularensis to be published
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8F4Y
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![BU of 8f4y by Molmil](/molmil-images/mine/8f4y) | Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10 | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-11-11 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Acs Infect Dis., 9, 2023
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8F4S
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![BU of 8f4s by Molmil](/molmil-images/mine/8f4s) | Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16 | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-11-11 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Acs Infect Dis., 9, 2023
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6CN1
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![BU of 6cn1 by Molmil](/molmil-images/mine/6cn1) | 2.75 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Pseudomonas putida in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-03-06 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 2.75 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Pseudomonas putida in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium. To Be Published
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6DUX
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![BU of 6dux by Molmil](/molmil-images/mine/6dux) | 2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD. | Descriptor: | (2S)-2-hydroxybutanedioic acid, 6-phospho-alpha-glucosidase, ACETATE ION, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-22 | Release date: | 2018-07-04 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6U4X
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![BU of 6u4x by Molmil](/molmil-images/mine/6u4x) | Crystal structure of Equine Serum Albumin complex with ibuprofen | Descriptor: | IBUPROFEN, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-26 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 63, 2020
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6DVV
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![BU of 6dvv by Molmil](/molmil-images/mine/6dvv) | 2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD and Mn2+. | Descriptor: | 6-phospho-alpha-glucosidase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-25 | Release date: | 2018-07-18 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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7RJJ
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![BU of 7rjj by Molmil](/molmil-images/mine/7rjj) | Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (OmpA) from Klebsiella pneumoniae with bound D-alanine | Descriptor: | CHLORIDE ION, D-ALANINE, OmpA family protein | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-07-21 | Release date: | 2021-07-28 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6DWE
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![BU of 6dwe by Molmil](/molmil-images/mine/6dwe) | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and BRD0059-bound form | Descriptor: | (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ... | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-26 | Release date: | 2018-07-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | Crystal structure of tryptophan synthase from M. tuberculosis - closed form with BRD6309 bound To be Published
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