Author results

2R31
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CRYSTAL STRUCTURE OF ATP12P FROM PARACOCCUS DENITRIFICANS
Descriptor:ATP12 ATPase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Ludlam, A.V., Brunzelle, J.S., Gatti, D.L., Ackerman, S.H.
Deposit date:2007-08-28
Release date:2008-03-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Chaperones of F1-ATPase.
J.Biol.Chem., 284, 2009
5K6D
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STRUCTURE OF FS50 AN ANTAGONIST OF NAV1.5
Descriptor:Putative secreted salivary protein
Authors:Andersen, J.F., Xu, X.
Deposit date:2016-05-24
Release date:2016-11-23
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:Structure and Function of FS50, a salivary protein from the flea Xenopsylla cheopis that blocks the sodium channel NaV1.5.
Sci Rep, 6, 2016
5WA5
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR XMD11-50
Descriptor:Bromodomain-containing protein 4, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL
Authors:Xu, X., Blacklow, S.C.
Deposit date:2017-06-24
Release date:2018-07-04
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.172 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
4OD6
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STRUCTURE OF SMR DOMAIN OF MUTS2 FROM DEINOCOCCUS RADIODURANS, MN2+ SOAKED
Descriptor:Endonuclease MutS2
Authors:Zhang, H., Zhao, Y., Xu, Q., Hua, Y.J.
Deposit date:2014-01-10
Release date:2014-06-25
Last modified:2014-08-20
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Structural and functional studies of MutS2 from Deinococcus radiodurans.
Dna Repair, 21, 2014
4O8O
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CRYSTAL STRUCTURE OF STHARAF62A, A GH62 FAMILY ALPHA-L-ARABINOFURANOSIDASE FROM STREPTOMYCES THERMOVIOLACEUS, BOUND TO ALPHA-L-ARABINOSE
Descriptor:Alpha-L-arabinofuranosidase, CALCIUM ION, ALPHA-L-ARABINOFURANOSE
Authors:Stogios, P.J., Wang, W., Xu, X., Cui, H., Master, E., Savchenko, A.
Deposit date:2013-12-28
Release date:2014-07-02
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Biochemical and structural characterization of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus to elucidate the molecular basis for activity towards arabinoxylan.
Appl.Environ.Microbiol., 2014
4PVA
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CRYSTAL STRUCTURE OF GH62 HYDROLASE FROM THERMOPHILIC FUNGUS SCYTALIDIUM THERMOPHILUM
Descriptor:GH62 hydrolase, GLYCEROL, PHOSPHATE ION
Authors:Nocek, B., Kaur, A.P., Xu, X., Cui, H., Savchenko, A.
Deposit date:2014-03-15
Release date:2014-11-19
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Functional and structural diversity in GH62 alpha-L-arabinofuranosidases from the thermophilic fungus Scytalidium thermophilum.
Microb Biotechnol, 8, 2015
6CD4
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JWG046
Descriptor:Bromodomain-containing protein 4, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL
Authors:Xu, X., Blacklow, S.C.
Deposit date:2018-02-08
Release date:2018-08-29
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6E4A
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CRYSTAL STRUCTURE OF HUMAN BRD4(1) IN COMPLEX WITH CN750
Descriptor:Bromodomain-containing protein 4, 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, GLYCEROL
Authors:Fontano, E., White, A., Lakshminarasimhan, D., Suto, R.K.
Deposit date:2018-07-17
Release date:2018-09-12
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
2PV1
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CRYSTALLOGRAPHIC STRUCTURE OF SURA FIRST PEPTIDYL-PROLYL ISOMERASE DOMAIN COMPLEXED WITH PEPTIDE WEYIPNV
Descriptor:Chaperone surA, Glycosyl transferase, group 1
Authors:Xu, X., McKay, D.B.
Deposit date:2007-05-09
Release date:2007-10-02
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Periplasmic Bacterial Molecular Chaperone SurA Adapts its Structure to Bind Peptides in Different Conformations to Assert a Sequence Preference for Aromatic Residues.
J.Mol.Biol., 373, 2007
2PV2
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CRYSTALLOGRAPHIC STRUCTURE OF SURA FIRST PEPTIDYL-PROLYL ISOMERASE DOMAIN COMPLEXED WITH PEPTIDE NFTLKFWDIFRK
Descriptor:Chaperone surA, C-peptide
Authors:Xu, X., McKay, D.B.
Deposit date:2007-05-09
Release date:2007-10-02
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Periplasmic Bacterial Molecular Chaperone SurA Adapts its Structure to Bind Peptides in Different Conformations to Assert a Sequence Preference for Aromatic Residues.
J.Mol.Biol., 373, 2007
3L9A
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STRUCTURE OF THE C-TERMINAL DOMAIN FROM A STREPTOCOCCUS MUTANS HYPOTHETICAL
Descriptor:uncharacterized protein, GLYCEROL, SODIUM ION
Authors:Singer, A.U., Cuff, M.E., Xu, X., Cui, H., Edwards, A.M., Joachimiak, A., Savchenko, A., Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-04
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of the C-terminal domain from a Streptococcus mutans hypothetical
To be Published
3MQZ
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CRYSTAL STRUCTURE OF CONSERVED PROTEIN DUF1054 FROM PINK SUBAERIAL BIOFILM MICROBIAL LEPTOSPIRILLUM SP. GROUP II UBA.
Descriptor:uncharacterized Conserved Protein DUF1054, CHLORIDE ION, GLYCEROL
Authors:Kim, Y., Xu, X., Cui, H., Chin, S., Savchenko, A., Edwards, A., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-04-28
Release date:2010-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Conserved Protein DUF1054 from Pink Subaerial Biofilm Microbial Leptospirillum sp. Group II UBA.
To be Published
3OGN
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CRYSTAL STRUCTURE OF AN ODORANT-BINDING PROTEIN FROM THE SOUTHERN HOUSE MOSQUITO COMPLEXED WITH AN OVIPOSITION PHEROMONE
Descriptor:Odorant-binding protein, (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate, MAGNESIUM ION
Authors:Mao, Y., Clardy, J.
Deposit date:2010-08-17
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal and solution structures of an odorant-binding protein from the southern house mosquito complexed with an oviposition pheromone.
Proc.Natl.Acad.Sci.USA, 107, 2010
4M3S
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CRYSTAL STRUCTURE OF A GNAT SUPERFAMILY ACETYLTRANSFERASE PA4794 IN COMPLEX WITH HEPES
Descriptor:Uncharacterized protein, SULFATE ION, CHLORIDE ION, ...
Authors:Majorek, K.A., Chruszcz, M., Xu, X., Cymborowski, M., Zheng, H., Savchenko, A., Edwards, A., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-08-06
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with HEPES
To be Published
4RL0
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STRUCTURAL AND MECHANISTIC INSIGHTS INTO NDM-1 CATALYZED HYDROLYSIS OF CEPHALOSPORINS
Descriptor:Beta-lactamase NDM-1, ZINC ION, (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Authors:Feng, H., Ding, J., Zhu, D., Liu, X., Xu, X., Zhang, Y., Zang, S., Wang, D.-C., Liu, W.
Deposit date:2014-10-14
Release date:2014-11-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
5O2E
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH HYDROLYZED CEFUROXIME - NEW REFINEMENT
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, SULFATE ION, ...
Authors:Raczynska, J.E., Shabalin, I.G., Jaskolski, M., Minor, W., Wlodawer, A.
Deposit date:2017-05-20
Release date:2018-12-26
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
3QXC
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CRYSTAL STRUCTURE OF DETHIOBIOTIN SYNTHETASE (BIOD) FROM HELICOBACTER PYLORI COMPLEXED WITH ATP
Descriptor:Dethiobiotin synthetase, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Porebski, P.J., Klimecka, M.M., Chruszcz, M., Murzyn, K., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXS
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CRYSTAL STRUCTURE OF DETHIOBIOTIN SYNTHETASE (BIOD) FROM HELICOBACTER PYLORI COMPLEXED WITH ANP
Descriptor:Dethiobiotin synthetase, 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Klimecka, M.M., Porebski, P.J., Chruszcz, M., Jablonska, K., Murzyn, K., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3S9X
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HIGH RESOLUTION CRYSTAL STRUCTURE OF ASCH DOMAIN FROM LACTOBACILLUS CRISPATUS JV V101
Descriptor:ASCH domain, CHLORIDE ION
Authors:Nocek, B., Xu, X., Cui, H., Jedrzejczak, R., Edwards, A., Savchenko, A., Mabbutt, B.C., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-06-02
Release date:2011-07-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High resolution crystal structure of ASCH domain from Lactobacillus crispatus JV V101
TO BE PUBLISHED
5W55
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JWG048
Descriptor:Bromodomain-containing protein 4, 11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL
Authors:Xu, X., Blacklow, S.C.
Deposit date:2017-06-14
Release date:2018-06-20
Method:X-RAY DIFFRACTION (1.354 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG048
To Be Published
3QXH
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CRYSTAL STRUCTURE OF DETHIOBIOTIN SYNTHETASE (BIOD) FROM HELICOBACTER PYLORI COMPLEXED WITH ADP AND 8-AMINOCAPRYLIC ACID
Descriptor:Dethiobiotin synthetase, 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Porebski, P.J., Klimecka, M.M., Chruszcz, M., Murzyn, K., Minor, C., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXX
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CRYSTAL STRUCTURE OF DETHIOBIOTIN SYNTHETASE (BIOD) FROM HELICOBACTER PYLORI COMPLEXED WITH GDP AND 8-AMINOCAPRYLIC ACID
Descriptor:Dethiobiotin synthetase, 8-aminooctanoic acid, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Porebski, P.J., Klimecka, M.M., Chruszcz, M., Murzyn, K., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3G7R
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CRYSTAL STRUCTURE OF SCO4454, A TETR-FAMILY TRANSCRIPTIONAL REGULATOR FROM STREPTOMYCES COELICOLOR
Descriptor:Putative transcriptional regulator, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U., Xu, X., Chang, C., Gu, J., Edwards, A.M., Joachimiak, A., Savchenko, A., Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-02-10
Release date:2009-03-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure and ligand specificity of SCO4454, a TetR-family transcriptional regulator from Streptomyces coelicolor
To be Published
3QXJ
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CRYSTAL STRUCTURE OF DETHIOBIOTIN SYNTHETASE (BIOD) FROM HELICOBACTER PYLORI COMPLEXED WITH GTP
Descriptor:Dethiobiotin synthetase, GUANOSINE-5'-TRIPHOSPHATE, 1,2-ETHANEDIOL, ...
Authors:Klimecka, M.M., Porebski, P.J., Chruszcz, M., Murzyn, K., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
6DQ4
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
Descriptor:Linked KDM5A Jmj Domain, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018