Author results

6MAE
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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
6D60
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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
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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
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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
6CI7
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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
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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
6CDH
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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
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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
6CD3
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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
6BVP
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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
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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
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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
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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
6BPS
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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
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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
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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
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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
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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
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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
6BGF
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CRYSTAL STRUCTURE OF CYSTEINE-BOUND FERROUS FORM OF THE CROSSLINKED HUMAN CYSTEINE DIOXYGENASE
Descriptor:Cysteine dioxygenase type 1, CYSTEINE, FE (II) ION, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2017-10-28
Release date:2017-12-13
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase.
To Be Published
6BGM
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CRYSTAL STRUCTURE OF FERROUS FORM OF THE CROSSLINKED HUMAN CYSTEINE DIOXYGENASE
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, SULFATE ION, ...
Authors:Liu, A., Li, J., Shin, I.
Deposit date:2017-10-28
Release date:2017-11-22
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6B2P
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DUAL INHIBITION OF THE ESSENTIAL PROTEIN KINASES A AND B IN MYCOBACTERIUM TUBERCULOSIS
Descriptor:Serine/threonine-protein kinase PknB, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide
Authors:Zuccola, H.J.
Deposit date:2017-09-20
Release date:2018-02-14
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
6B2Q
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DUAL INHIBITION OF THE ESSENTIAL PROTEIN KINASES A AND B IN MYCOBACTERIUM TUBERCULOSIS
Descriptor:Serine/threonine-protein kinase PknA, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside
Authors:Zuccola, H.J.
Deposit date:2017-09-20
Release date:2018-02-14
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
6AVJ
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CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL INNER NEET PROTEIN (MINT)/CISD3
Descriptor:CDGSH iron-sulfur domain-containing protein 3, mitochondrial, FE2/S2 (INORGANIC) CLUSTER
Authors:Lipper, C.H., Karmi, O., Sohn, Y.S., Darash-Yahana, M., Lammert, H., Song, L., Liu, A., Mittler, R., Nechushtai, R., Onuchic, J.N., Jennings, P.A.
Deposit date:2017-09-02
Release date:2017-12-20
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the human monomeric NEET protein MiNT and its role in regulating iron and reactive oxygen species in cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OVQ
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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