Author results

6K2Q
  • Download 6k2q
  • View 6k2q
Molmil generated image of 6k2q
AEROMONAS HYDROPHILA MTAN-2 COMPLEXED WITH ADENINE
Descriptor:5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE
Authors:Chen, J., Liu, W., Wang, L., Shang, F., Lan, J., Chen, Y., Xu, Y.
Deposit date:2019-05-15
Release date:2019-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aeromonas hydrophila MtaN-2 complexed with adenine
To Be Published
6JYX
  • Download 6jyx
  • View 6jyx
Molmil generated image of 6jyx
STRUCTURE OF CBPJ FROM STREPTOCOCCUS PNEUMONIAE TIGR4
Descriptor:Choline binding protein J, CHOLINE ION, DI(HYDROXYETHYL)ETHER
Authors:Xu, Q., Zhang, J.W., Li, Q., Jiang, Y.L.
Deposit date:2019-04-29
Release date:2019-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the choline-binding protein CbpJ from Streptococcus pneumoniae.
Biochem.Biophys.Res.Commun., 2019
6JU2
  • Download 6ju2
  • View 6ju2
Molmil generated image of 6ju2
STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO CRNA PROMOTER IN CLASS 1
Descriptor:Polymerase 3, RNA-directed RNA polymerase catalytic subunit, Polymerase PB2, ...
Authors:Peng, Q., Peng, R., Qi, J., Gao, G.F., Shi, Y.
Deposit date:2019-04-12
Release date:2019-06-12
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase
To Be Published
6JU3
  • Download 6ju3
  • View 6ju3
Molmil generated image of 6ju3
STRUCTURE OF INFLUENZA D VIRUS POLYMERASE BOUND TO CRNA PROMOTER IN CLASS 2
Descriptor:Polymerase 3, RNA-directed RNA polymerase catalytic subunit, Polymerase PB2, ...
Authors:Peng, Q., Peng, R., Qi, J., Gao, G.F., Shi, Y.
Deposit date:2019-04-12
Release date:2019-06-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase
To Be Published
6R80
  • Download 6r80
  • View 6r80
Molmil generated image of 6r80
STRUCTURE OF AFF4 C-TERMINAL HOMOLOGY DOMAIN
Descriptor:AF4/FMR2 family member 4
Authors:Chen, Y., Cramer, P.
Deposit date:2019-03-30
Release date:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the super-elongation complex subunit AFF4 C-terminal homology domain reveals requirements for AFF homo- and heterodimerization.
J.Biol.Chem., 2019
6JPJ
  • Download 6jpj
  • View 6jpj
Molmil generated image of 6jpj
CRYSTAL STRUCTURE OF FGF401 IN COMPLEX OF FGFR4
Descriptor:Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
Authors:Zhou, Z., Chen, X., Chen, Y.
Deposit date:2019-03-27
Release date:2019-05-15
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (2.638 Å)
Cite:Characterization of FGF401 as a reversible covalent inhibitor of fibroblast growth factor receptor 4.
Chem.Commun.(Camb.), 55, 2019
6O94
  • Download 6o94
  • View 6o94
Molmil generated image of 6o94
STRUCTURE OF THE IRAK4 KINASE DOMAIN WITH COMPOUND 17
Descriptor:Interleukin-1 receptor-associated kinase 4, CALCIUM ION, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Yu, C., Drobnick, J., Bryan, M.C., Kiefer, J., Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Development of potent and selective pyrazolopyrimidine IRAK4 inhibitors.
J.Med.Chem., 2019
6O95
  • Download 6o95
  • View 6o95
Molmil generated image of 6o95
STRUCTURE OF THE IRAK4 KINASE DOMAIN WITH COMPOUND 41
Descriptor:Interleukin-1 receptor-associated kinase 4, SULFATE ION, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Yu, C., Drobnick, J., Bryan, M.C., Kiefer, J., Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Development of potent and selective pyrazolopyrimidine IRAK4 inhibitors.
J.Med.Chem., 2019
6O9D
  • Download 6o9d
  • View 6o9d
Molmil generated image of 6o9d
STRUCTURE OF THE IRAK4 KINASE DOMAIN WITH COMPOUND 5
Descriptor:Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Yu, C., Drobnick, J., Bryan, M.C., Kiefer, J., Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Development of potent and selective pyrazolopyrimidine IRAK4 inhibitors.
J.Med.Chem., 2019
6O8U
  • Download 6o8u
  • View 6o8u
Molmil generated image of 6o8u
CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 23
Descriptor:Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION, ...
Authors:Kiefer, J.R., Yu, C., Drobnick, J., Bryan, M.C., Lupardus, P.J.
Deposit date:2019-03-12
Release date:2019-05-22
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of potent and selective pyrazolopyrimidine IRAK4 inhibitors.
J.Med.Chem., 2019
6J67
  • Download 6j67
  • View 6j67
Molmil generated image of 6j67
CRYSTAL STRUCTURE OF THE COMPOUND 34 IN A COMPLEX WITH TRF2
Descriptor:Telomeric repeat-binding factor 2, 3FB-PHE-B8R-LEU-5XU-PRO
Authors:Chen, Y., Yang, Y., Lei, M.
Deposit date:2019-01-14
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018
6J07
  • Download 6j07
  • View 6j07
Molmil generated image of 6j07
CRYSTAL STRUCTURE OF HUMAN TERB2 AND TERB1
Descriptor:Telomere repeats-binding bouquet formation protein 2, Telomere repeats-binding bouquet formation protein 1, ZINC ION
Authors:Wang, Y., Chen, Y., Wu, J., Huang, C., Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
6J08
  • Download 6j08
  • View 6j08
Molmil generated image of 6j08
CRYSTAL STRUCTURE OF HUMAN MAJIN AND TERB2
Descriptor:Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2
Authors:Wang, Y., Chen, Y., Wu, J., Huang, C., Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
6NEB
  • Download 6neb
  • View 6neb
Molmil generated image of 6neb
MYC PROMOTER G-QUADRUPLEX WITH 1:6:1 LOOP LENGTH
Descriptor:DNA (27-MER)
Authors:Dickerhoff, J., Onel, B., Chen, L., Chen, Y., Yang, D.
Deposit date:2018-12-17
Release date:2019-02-13
Method:SOLUTION NMR
Cite:Solution Structure of a MYC Promoter G-Quadruplex with 1:6:1 Loop Length
Acs Omega, 4, 2019
6MV5
  • Download 6mv5
  • View 6mv5
Molmil generated image of 6mv5
ANTI-PCSK9 FAB 6E2 BOUND TO THE N-TERMINAL PEPTIDE FROM PCSK9 (E32K)
Descriptor:Anti-PCSK9 fab 6E2 heavy chain, Anti-PCSK9 fab 6E2 light chain, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Ultsch, M.H., Kirchhofer, D.K.
Deposit date:2018-10-24
Release date:2019-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6IMJ
  • Download 6imj
  • View 6imj
Molmil generated image of 6imj
THE CRYSTAL STRUCTURE OF SE-ASFVLIG:DNA COMPLEX
Descriptor:DNA ligase, DNA (5'-D(*TP*C*CP*GP*GP*GP*AP*TP*GP*CP*TP*GP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), DNA (5'-D(*C*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), ...
Authors:Chen, Y.Q., Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMK
  • Download 6imk
  • View 6imk
Molmil generated image of 6imk
THE CRYSTAL STRUCTURE OF ASFVLIG:CG COMPLEX
Descriptor:DNA ligase, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), ...
Authors:Chen, Y.Q., Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IML
  • Download 6iml
  • View 6iml
Molmil generated image of 6iml
THE CRYSTAL STRUCTURE OF ASFVLIG:CT1 COMPLEX
Descriptor:DNA ligase, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), ...
Authors:Chen, Y.Q., Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMN
  • Download 6imn
  • View 6imn
Molmil generated image of 6imn
THE CRYSTAL STRUCTURE OF ASFVLIG:CT2 COMPLEX
Descriptor:DNA ligase, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q., Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6MT0
  • Download 6mt0
  • View 6mt0
Molmil generated image of 6mt0
CRYSTAL STRUCTURE OF HUMAN PIM-1 KINASE IN COMPLEX WITH A QUINAZOLINONE-PYRROLODIHYDROPYRROLONE INHIBITOR
Descriptor:Serine/threonine-protein kinase pim-1, 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL
Authors:Mohr, C.
Deposit date:2018-10-18
Release date:2019-01-16
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.
J. Med. Chem., 62, 2019
6IJH
  • Download 6ijh
  • View 6ijh
Molmil generated image of 6ijh
CRYSTAL STRUCTURE OF PDE10 IN COMPLEX WITH INHIBITOR AF-399/14387019
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ...
Authors:Huang, Y.Y., Yu, Y.F., Zhang, C., Wu, D., Wu, Y., Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
6IJI
  • Download 6iji
  • View 6iji
Molmil generated image of 6iji
CRYSTAL STRUCTURE OF PDE10 IN COMPLEX WITH INHIBITOR 2B
Descriptor:cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ...
Authors:Huang, Y.Y., Yu, Y.F., Zhang, C., Wu, D., Wu, Y., Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
6MNL
  • Download 6mnl
  • View 6mnl
Molmil generated image of 6mnl
NMR SOLUTION STRUCTURES OF SECOND BROMODOMAIN OF BRD4 WITH FOXO3A PEPTIDE
Descriptor:FOXO3a peptide, Bromodomain-containing protein 4
Authors:Zeng, L., Zhou, M.-M.
Deposit date:2018-10-02
Release date:2018-10-31
Last modified:2018-12-19
Method:SOLUTION NMR
Cite:Targeting the BRD4/FOXO3a/CDK6 axis sensitizes AKT inhibition in luminal breast cancer.
Nat Commun, 9, 2018
6MNP
  • Download 6mnp
  • View 6mnp
Molmil generated image of 6mnp
CRYSTAL STRUCTURE OF KPC-2 WITH COMPOUND 6
Descriptor:Carbapenem-hydrolyzing beta-lactamase KPC, 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, GLYCEROL
Authors:Akhtar, A., Chen, Y.
Deposit date:2018-10-02
Release date:2019-04-17
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Active-site druggability of carbapenemases and broad-spectrum inhibitor discovery.
ACS Infect Dis, 2019
6MLL
  • Download 6mll
  • View 6mll
Molmil generated image of 6mll
CRYSTAL STRUCTURE OF KPC-2 WITH COMPOUND 7
Descriptor:Carbapenem-hydrolyzing beta-lactamase KPC, 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, GLYCEROL
Authors:Akhtar, A., Chen, Y.
Deposit date:2018-09-27
Release date:2019-04-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Active-site druggability of carbapenemases and broad-spectrum inhibitor discovery.
ACS Infect Dis, 2019