Author results

6MAE
  • Download 6mae
  • View 6mae
Molmil generated image of 6mae
CHAIN A. UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE DEACETYLASE PA-LPXC COMPLEXED WITH (R)-3-((S)-3-(4-(CYCLOPROPYLETHYNYL)PHENYL)-2-OXOOXAZOLIDIN-5-YL)-N-HYDROXY-2-METHYL-2-(METHYLSULFONYL)PROPENAMIDE
Descriptor:UDP-3-O-acyl-N-acetylglucosamine deacetylase, (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide, ZINC ION
Authors:Shu, W.
Deposit date:2018-08-27
Release date:2019-01-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline.
J. Med. Chem., 61, 2018
5OVQ
  • Download 5ovq
  • View 5ovq
Molmil generated image of 5ovq
CRYSTAL STRUCTURE OF THE PEROXIREDOXIN (AHPC2) FROM THE HYPERTHERMOPHILIC BACTERIA AQUIFEX AEOLICUS VF
Descriptor:Peroxiredoxin, UNKNOWN LIGAND
Authors:Warkentin, E., Peng, G.
Deposit date:2017-08-29
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural properties of the peroxiredoxin AhpC2 from the hyperthermophilic eubacterium Aquifex aeolicus.
Biochim Biophys Acta Gen Subj, 1862, 2018
6ATG
  • Download 6atg
  • View 6atg
Molmil generated image of 6atg
INSIGHTS TO COMPLEMENT FACTOR H RECRUITMENT BY THE BORRELIAL CSPZ PROTEIN AS REVEALED BY STRUCTURAL ANALYSIS
Descriptor:HCG40889, isoform CRA_b, Complement regulator-acquiring surface protein 2 (CRASP-2), ...
Authors:Liu, A., Yan, H., Wu, Y., Li, Y., Liu, J.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights to complement factor H recruitment by the borrelial CspZ protein as revealed by structural analysis
To Be Published
6BPS
  • Download 6bps
  • View 6bps
Molmil generated image of 6bps
CRYSTAL STRUCTURE OF CYSTEINE-BOUND FERROUS FORM OF THE UNCROSSLINKED F2-TYR157 HUMAN CYSTEINE DIOXYGENASE
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, CYSTEINE, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPT
  • Download 6bpt
  • View 6bpt
Molmil generated image of 6bpt
CRYSTAL STRUCTURE OF FERROUS FORM OF THE UNCROSSLINKED F2-TYR157 HUMAN CYSTEINE DIOXYGENASE
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, SULFATE ION, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPU
  • Download 6bpu
  • View 6bpu
Molmil generated image of 6bpu
CRYSTAL STRUCTURE OF FERROUS FORM OF THE F2-TYR157 HUMAN CYSTEINE DIOXYGENASE WITH BOTH UNCROSSLINKED AND CROSSLINKED COFACTOR
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, SULFATE ION, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPV
  • Download 6bpv
  • View 6bpv
Molmil generated image of 6bpv
CRYSTAL STRUCTURE OF CYSTEINE-BOUND FERROUS FORM OF THE MATURED F2-TYR157 HUMAN CYSTEINE DIOXYGENASE
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, CYSTEINE, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPW
  • Download 6bpw
  • View 6bpw
Molmil generated image of 6bpw
CRYSTAL STRUCTURE OF FERROUS FORM OF THE CL2-TYR157 HUMAN CYSTEINE DIOXYGENASE WITH BOTH UNCROSSLINKED AND CROSSLINKED COFACTOR
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPX
  • Download 6bpx
  • View 6bpx
Molmil generated image of 6bpx
CRYSTAL STRUCTURE OF CYSTEINE-BOUND FERROUS FORM OF THE MATURED CL2-TYR157 HUMAN CYSTEINE DIOXYGENASE
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, CYSTEINE, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6CDH
  • Download 6cdh
  • View 6cdh
Molmil generated image of 6cdh
CRYSTAL STRUCTURE OF FERROUS FORM OF THE CL-TYR157 HUMAN CYSTEINE DIOXYGENASE WITH BOTH UNCROSSLINKED AND CROSSLINKED COFACTOR
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, SULFATE ION, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2018-02-08
Release date:2018-07-04
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.821 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6CDN
  • Download 6cdn
  • View 6cdn
Molmil generated image of 6cdn
CRYSTAL STRUCTURE OF CYSTEINE-BOUND FERROUS FORM OF THE CROSSLINKED CL-TYR157 HUMAN CYSTEINE DIOXYGENASE
Descriptor:Cysteine dioxygenase type 1, CYSTEINE, FE (II) ION, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2018-02-08
Release date:2018-07-04
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BVP
  • Download 6bvp
  • View 6bvp
Molmil generated image of 6bvp
CRYSTAL STRUCTURE OF 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE N27A FROM CUPRIAVIDUS METALLIDURANS
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Yang, Y., Liu, F., Liu, A.
Deposit date:2017-12-13
Release date:2018-06-06
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6BVQ
  • Download 6bvq
  • View 6bvq
Molmil generated image of 6bvq
CRYSTAL STRUCTURE OF 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE N27A FROM CUPRIAVIDUS METALLIDURANS IN COMPLEX WITH 4-CL-3-HAA
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ...
Authors:Yang, Y., Liu, F., Liu, A.
Deposit date:2017-12-13
Release date:2018-06-06
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6BVR
  • Download 6bvr
  • View 6bvr
Molmil generated image of 6bvr
CRYSTAL STRUCTURE OF 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE I142A FROM CUPRIAVIDUS METALLIDURANS
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (II) ION
Authors:Yang, Y., Liu, F., Liu, A.
Deposit date:2017-12-13
Release date:2018-06-06
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6BVS
  • Download 6bvs
  • View 6bvs
Molmil generated image of 6bvs
CRYSTAL STRUCTURE OF 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE I142A FROM CUPRIAVIDUS METALLIDURANS IN COMPLEX WITH 4-CL-3-HAA
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Yang, Y., Liu, F., Liu, A.
Deposit date:2017-12-13
Release date:2018-06-06
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.318 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6CD3
  • Download 6cd3
  • View 6cd3
Molmil generated image of 6cd3
CRYSTAL STRUCTURE OF 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE I142A FROM CUPRIAVIDUS METALLIDURANS IN COMPLEX WITH 3-HAA
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 3-HYDROXYANTHRANILIC ACID
Authors:Yang, Y., Liu, F., Liu, A.
Deposit date:2018-02-07
Release date:2018-06-06
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.612 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6D60
  • Download 6d60
  • View 6d60
Molmil generated image of 6d60
CRYSTAL STRUCTURE OF 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE I142P FROM CUPRIAVIDUS METALLIDURANS
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Yang, Y., Liu, F., Liu, A.
Deposit date:2018-04-19
Release date:2018-06-06
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6D61
  • Download 6d61
  • View 6d61
Molmil generated image of 6d61
CRYSTAL STRUCTURE OF 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE I142P FROM CUPRIAVIDUS METALLIDURANS IN COMPLEX WITH 4-CL-3-HAA
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ...
Authors:Yang, Y., Liu, F., Liu, A.
Deposit date:2018-04-19
Release date:2018-06-06
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6D62
  • Download 6d62
  • View 6d62
Molmil generated image of 6d62
CRYSTAL STRUCTURE OF 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE I142P FROM CUPRIAVIDUS METALLIDURANS IN COMPLEX WITH 3-HAA
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 3-HYDROXYANTHRANILIC ACID, ...
Authors:Yang, Y., Liu, F., Liu, A.
Deposit date:2018-04-19
Release date:2018-06-06
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
5WP2
  • Download 5wp2
  • View 5wp2
Molmil generated image of 5wp2
1.44 ANGSTROM CRYSTAL STRUCTURE OF CYP121 FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH SUBSTRATE AND CN
Descriptor:Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, ...
Authors:Fielding, A., Dornevil, K., Liu, A.
Deposit date:2017-08-03
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature.
J. Am. Chem. Soc., 139, 2017
6CI7
  • Download 6ci7
  • View 6ci7
Molmil generated image of 6ci7
THE STRUCTURE OF YCAO FROM METHANOPYRUS KANDLERI BOUND WITH AMPPCP AND MG2+
Descriptor:YcaO, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, MAGNESIUM ION
Authors:Dong, S.-H., Nair, S.K.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzymatic reconstitution of ribosomal peptide backbone thioamidation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CIB
  • Download 6cib
  • View 6cib
Molmil generated image of 6cib
THE STRUCTURE OF YCAO FROM METHANOPYRUS KANDLERI BOUND WITH AMPPCP AND MG2+
Descriptor:YcaO, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dong, S.-H., Nair, S.K.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzymatic reconstitution of ribosomal peptide backbone thioamidation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5V26
  • Download 5v26
  • View 5v26
Molmil generated image of 5v26
1.78 ANGSTROM CRYSTAL STRUCTURE OF P97H 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE FROM CUPRIAVIDUS METALLIDURANS
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
Authors:Dornevil, K., Liu, F., Liu, A.
Deposit date:2017-03-02
Release date:2018-03-07
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:1.78 angstrom crystal structure of P97H 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
5V27
  • Download 5v27
  • View 5v27
Molmil generated image of 5v27
2.35 ANGSTROM CRYSTAL STRUCTURE OF P97V 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE FROM CUPRIAVIDUS METALLIDURANS
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Dornevil, K., Liu, F., Liu, A.
Deposit date:2017-03-02
Release date:2018-03-07
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:2.35 angstrom crystal structure of P97V 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
5V28
  • Download 5v28
  • View 5v28
Molmil generated image of 5v28
2.72 ANGSTROM CRYSTAL STRUCTURE OF P97A 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE FROM CUPRIAVIDUS METALLIDURANS
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Dornevil, K., Liu, F., Liu, A.
Deposit date:2017-03-02
Release date:2018-03-07
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.724 Å)
Cite:2.72 angstrom crystal structure of P97A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published