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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6NFP
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![BU of 6nfp by Molmil](/molmil-images/mine/6nfp) | 1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168 | Descriptor: | 1,2-ETHANEDIOL, Arginase, CHLORIDE ION, ... | Authors: | Minasov, G, Wawrzak, Z, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-12-20 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168 To Be Published
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6NAU
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![BU of 6nau by Molmil](/molmil-images/mine/6nau) | 1.55 Angstrom Resolution Crystal Structure of 6-phosphogluconolactonase from Klebsiella pneumoniae | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-phosphogluconolactonase, CHLORIDE ION | Authors: | Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-12-06 | Release date: | 2018-12-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6NBG
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![BU of 6nbg by Molmil](/molmil-images/mine/6nbg) | 2.05 Angstrom Resolution Crystal Structure of Hypothetical Protein KP1_5497 from Klebsiella pneumoniae. | Descriptor: | CHLORIDE ION, Glucosamine-6-phosphate deaminase, PHOSPHATE ION | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-12-07 | Release date: | 2018-12-19 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6NKJ
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![BU of 6nkj by Molmil](/molmil-images/mine/6nkj) | 1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid. | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-01-07 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid. To Be Published
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6OV8
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![BU of 6ov8 by Molmil](/molmil-images/mine/6ov8) | 2.6 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Peptidase B, ... | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-07 | Release date: | 2019-05-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis. Protein Sci., 29, 2020
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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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6PO4
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![BU of 6po4 by Molmil](/molmil-images/mine/6po4) | 2.1 Angstrom Resolution Crystal Structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (mtnN) from Haemophilus influenzae PittII. | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, ... | Authors: | Minasov, G, Shuvalova, L, Cardona-Correa, A, Dubrovska, I, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-03 | Release date: | 2019-07-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2.1 Angstrom Resolution Crystal Structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (mtnN) from Haemophilus influenzae PittII. To Be Published
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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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8G22
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![BU of 8g22 by Molmil](/molmil-images/mine/8g22) | Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae. | Descriptor: | dTDP-4-dehydrorhamnose reductase | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2023-02-03 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae. To Be Published
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8G28
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![BU of 8g28 by Molmil](/molmil-images/mine/8g28) | Crystal Structure of the C-terminal Fragment of AAA ATPase from Streptococcus pneumoniae. | Descriptor: | ATPase, AAA family, CHLORIDE ION | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2023-02-03 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structure of the C-terminal Fragment of AAA ATPase from Streptococcus pneumoniae. To Be Published
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8SCD
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![BU of 8scd by Molmil](/molmil-images/mine/8scd) | Crystal structure of sulfonamide resistance enzyme Sul3 in complex with reaction intermediate | Descriptor: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | Authors: | Stogios, P.J, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2023-04-05 | Release date: | 2023-05-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics. Nat Commun, 14, 2023
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6N1N
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![BU of 6n1n by Molmil](/molmil-images/mine/6n1n) | Crystal structure of class D beta-lactamase from Sebaldella termitidis ATCC 33386 | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Michalska, K, Tesar, C, Endres, M, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-11-09 | Release date: | 2018-12-19 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Crystal structure of class D beta-lactamase from Sebaldella termitidis ATCC 33386 To Be Published
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6WJI
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![BU of 6wji by Molmil](/molmil-images/mine/6wji) | 2.05 Angstrom Resolution Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2 | Descriptor: | CHLORIDE ION, Nucleoprotein | Authors: | Minasov, G, Shuvalova, L, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-13 | Release date: | 2020-04-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Serodominant SARS-CoV-2 Nucleocapsid Peptides Map to Unstructured Protein Regions. Microbiol Spectr, 2023
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6WN8
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![BU of 6wn8 by Molmil](/molmil-images/mine/6wn8) | 2.70 Angstrom Resolution Crystal Structure of Uracil Phosphoribosyl Transferase from Klebsiella pneumoniae | Descriptor: | CHLORIDE ION, SULFATE ION, Uracil phosphoribosyltransferase, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-22 | Release date: | 2020-05-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 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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6NDI
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![BU of 6ndi by Molmil](/molmil-images/mine/6ndi) | Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae | Descriptor: | Transcriptional regulator | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-12-13 | Release date: | 2018-12-26 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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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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7TZP
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![BU of 7tzp by Molmil](/molmil-images/mine/7tzp) | Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (FabG) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 in Complex with NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-ACP reductase, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-02-16 | Release date: | 2022-03-02 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.6 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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7UUJ
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![BU of 7uuj by Molmil](/molmil-images/mine/7uuj) | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with gentamicin | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, ... | Authors: | Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-04-28 | Release date: | 2023-04-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with gentamicin To Be Published
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6W75
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![BU of 6w75 by Molmil](/molmil-images/mine/6w75) | 1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2 | Descriptor: | 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ... | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.951 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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6VPU
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![BU of 6vpu by Molmil](/molmil-images/mine/6vpu) | 1.90 Angstrom Resolution Crystal Structure Phosphoadenosine Phosphosulfate Reductase (CysH) from Vibrio vulnificus | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Phosphoadenosine phosphosulfate reductase, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Wiersum, G, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-02-04 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.90 Angstrom Resolution Crystal Structure Phosphoadenosine Phosphosulfate Reductase (CysH) from Vibrio vulnificus To Be Published
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6WN5
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![BU of 6wn5 by Molmil](/molmil-images/mine/6wn5) | 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator HdfR from Klebsiella pneumoniae | Descriptor: | CHLORIDE ION, Transcriptional regulator HdfR | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-22 | Release date: | 2020-05-06 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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