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5TCI
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BU of 5tci by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - BRD4592-bound form
Descriptor: (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, FORMIC ACID, MALONATE ION, ...
Authors:Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-09-15
Release date:2017-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
4X2R
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BU of 4x2r by Molmil
Crystal structure of PriA from Actinomyces urogenitalis
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, PHOSPHATE ION
Authors:MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-11-26
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Evolution of substrate specificity in a retained enzyme driven by gene loss.
Elife, 6, 2017
4WUI
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BU of 4wui by Molmil
Crystal structure of TrpF from Jonesia denitrificans
Descriptor: CITRIC ACID, N-(5'-phosphoribosyl)anthranilate isomerase
Authors:Michalska, K, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-10-31
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
5TCJ
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BU of 5tcj by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate and BRD4592-bound form
Descriptor: (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, ...
Authors:Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-09-15
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCF
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BU of 5tcf by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form
Descriptor: FORMIC ACID, MALONATE ION, POTASSIUM ION, ...
Authors:Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-09-15
Release date:2017-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
7KA0
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BU of 7ka0 by Molmil
Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and phenylalanine
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
7KAB
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BU of 7kab by Molmil
M. tuberculosis PheRS complex with cognate precursor tRNA and phenylalanine
Descriptor: GLYCEROL, MAGNESIUM ION, PHENYLALANINE, ...
Authors:Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
4HFV
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BU of 4hfv by Molmil
Crystal structure of lpg1851 protein from Legionella pneumophila (putative T4SS effector)
Descriptor: CITRIC ACID, SUCCINIC ACID, Uncharacterized protein
Authors:Michalska, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-10-05
Release date:2012-11-07
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol Syst Biol, 12, 2016
4EVU
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BU of 4evu by Molmil
Crystal structure of C-terminal domain of putative periplasmic protein ydgH from S. enterica
Descriptor: CHLORIDE ION, Putative periplasmic protein ydgH, SULFATE ION
Authors:Michalska, K, Cui, H, Xu, X, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Savchenko, A, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-04-26
Release date:2012-05-30
Last modified:2014-07-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
6USA
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BU of 6usa by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK1-bound form
Descriptor: (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol, 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, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-10-25
Release date:2020-09-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase.
Protein Sci., 29, 2020
6VXS
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BU of 6vxs by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3, ...
Authors:Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-24
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
6DWE
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BU of 6dwe by Molmil
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
6XKM
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BU of 6xkm by Molmil
Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, 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:2020-06-26
Release date:2020-07-08
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
6E9P
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BU of 6e9p by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD0059 bound
Descriptor: (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[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:2018-08-01
Release date:2018-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.569 Å)
Cite:Crystal structure of tryptophan synthase from M. tuberculosis - closed form with BRD6309 bound
To be Published
3GAX
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BU of 3gax by Molmil
Crystal structure of monomeric human cystatin C stabilized against aggregation
Descriptor: Cystatin-C
Authors:Kolodziejczyk, R, Michalska, K, Hernandez-Santoyo, A, Wahlbom, M, Grubb, A, Jaskolski, M.
Deposit date:2009-02-18
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human cystatin C stabilized against amyloid formation.
Febs J., 277, 2010
8GHX
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BU of 8ghx by Molmil
Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis
Descriptor: 1,2-ETHANEDIOL, Cellulase CelD
Authors:Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
Deposit date:2023-03-13
Release date:2023-05-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
8GHY
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BU of 8ghy by Molmil
Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose.
Descriptor: Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
Deposit date:2023-03-13
Release date:2023-05-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
4RYV
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BU of 4ryv by Molmil
Crystal structure of yellow lupin LLPR-10.1A protein in complex with trans-zeatin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Protein LLPR-10.1A, SULFATE ION
Authors:Dolot, R, Michalska, K, Sliwiak, J, Bujacz, G, Sikorski, M.M, Jaskolski, M.
Deposit date:2014-12-17
Release date:2015-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein.
J.Struct.Biol., 193, 2016
6UAP
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BU of 6uap by Molmil
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
6UB9
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BU of 6ub9 by Molmil
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
5JH8
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BU of 5jh8 by Molmil
Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472
Descriptor: (2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Chang, C, Michalska, K, Tesar, C, Clancy, S, Joachimiak, A.
Deposit date:2016-04-20
Release date:2016-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.018 Å)
Cite:Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472
To Be Published
5KCK
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BU of 5kck by Molmil
Crystal structure of anthranilate synthase component I from Streptococcus pneumoniae TIGR4
Descriptor: Anthranilate synthase component I, GLYCEROL
Authors:Chang, C, Michalska, K, Bigelow, L, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-06-06
Release date:2016-06-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of anthranilate synthase component I from Streptococcus pneumoniae TIGR4
To Be Published
4Q29
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BU of 4q29 by Molmil
Ensemble Refinement of plu4264 protein from Photorhabdus luminescens
Descriptor: NICKEL (II) ION, SODIUM ION, plu4264 protein
Authors:Wang, F, Michalska, K, Li, H, Jedrzejczak, R, Babnigg, G, Bingman, C.A, Yennamalli, R, Weerth, S, Miller, M.D, Thomas, M.G, Joachimiak, A, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-04-07
Release date:2014-05-07
Last modified:2015-02-11
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Structure of a cupin protein Plu4264 from Photorhabdus luminescens subsp. laumondii TTO1 at 1.35 angstrom resolution.
Proteins, 83, 2015
4Y31
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BU of 4y31 by Molmil
Crystal structure of yellow lupine LlPR-10.1A protein in ligand-free form
Descriptor: ACETATE ION, Protein LlR18A
Authors:Sliwiak, J, Michalska, K, Sikorski, M.M, Jaskolski, M.
Deposit date:2015-02-10
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein.
J.Struct.Biol., 193, 2016
6X4I
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BU of 6x4i by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate
Descriptor: 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ...
Authors:Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021

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PDB entries from 2024-07-17

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