Author results

5UGM
  • Download 5ugm
  • View 5ugm
Molmil generated image of 5ugm
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH EDAGLITAZONE
Descriptor:Peroxisome proliferator-activated receptor gamma, (5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione, nonanoic acid
Authors:Shang, J., Kojetin, D.J.
Deposit date:2017-01-09
Release date:2018-01-17
Last modified:2019-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6AUG
  • Download 6aug
  • View 6aug
Molmil generated image of 6aug
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH SR16832
Descriptor:Peroxisome proliferator-activated receptor gamma, 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide, nonanoic acid
Authors:Shang, J., Kojetin, D.J.
Deposit date:2017-08-31
Release date:2018-09-12
Last modified:2019-01-09
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6AVI
  • Download 6avi
  • View 6avi
Molmil generated image of 6avi
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH GW9662 AND NONANOIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, 2-chloro-5-nitro-N-phenylbenzamide, nonanoic acid
Authors:Shang, J., Kojetin, D.J.
Deposit date:2017-09-02
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6B7N
  • Download 6b7n
  • View 6b7n
Molmil generated image of 6b7n
CRYO-ELECTRON MICROSCOPY STRUCTURE OF PORCINE DELTA CORONAVIRUS SPIKE PROTEIN IN THE PRE-FUSION STATE
Descriptor:Spike protein, N-ACETYL-D-GLUCOSAMINE
Authors:Shang, J., Zheng, Y., Yang, Y., Liu, C., Geng, Q., Tai, W., Du, L., Zhou, Y., Zhang, W., Li, F.
Deposit date:2017-10-04
Release date:2017-10-25
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-Electron Microscopy Structure of Porcine Deltacoronavirus Spike Protein in the Prefusion State
J. Virol., 92, 2018
6MCZ
  • Download 6mcz
  • View 6mcz
Molmil generated image of 6mcz
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH ARACHIDONIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, ARACHIDONIC ACID
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD0
  • Download 6md0
  • View 6md0
Molmil generated image of 6md0
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH OLEIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, OLEIC ACID
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
  • Download 6md1
  • View 6md1
Molmil generated image of 6md1
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH GW9662 AND OLEIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, OLEIC ACID, 2-chloro-5-nitro-N-phenylbenzamide
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD2
  • Download 6md2
  • View 6md2
Molmil generated image of 6md2
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH GW9662 AND ARACHIDONIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, 2-chloro-5-nitro-N-phenylbenzamide, ARACHIDONIC ACID
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD4
  • Download 6md4
  • View 6md4
Molmil generated image of 6md4
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH ROSIGLITAZONE AND OLEIC ACID
Descriptor:Peroxisome proliferator-activated receptor gamma, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
4OUH
  • Download 4ouh
  • View 4ouh
Molmil generated image of 4ouh
CRYSTAL STRUCTURE OF THE FP DOMAIN OF HUMAN PI31 PROTEASOME INHIBITOR
Descriptor:Proteasome inhibitor PI31 subunit
Authors:Shang, J., Huang, X., Du, Z.
Deposit date:2014-02-17
Release date:2015-02-25
Last modified:2015-05-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The FP domains of PI31 and Fbxo7 have the same protein fold but very different modes of protein-protein interaction.
J.Biomol.Struct.Dyn., 33, 2015
6CV0
  • Download 6cv0
  • View 6cv0
Molmil generated image of 6cv0
CRYO-ELECTRON MICROSCOPY STRUCTURE OF INFECTIOUS BRONCHITIS CORONAVIRUS SPIKE PROTEIN
Descriptor:Spike glycoprotein, N-ACETYL-D-GLUCOSAMINE
Authors:Shang, J., Zheng, Y., Yang, Y., Liu, C., Geng, Q., Luo, C., Zhang, W., Li, F.
Deposit date:2018-03-27
Release date:2018-04-18
Last modified:2018-05-09
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Cryo-EM structure of infectious bronchitis coronavirus spike protein reveals structural and functional evolution of coronavirus spike proteins.
PLoS Pathog., 14, 2018
6DGL
  • Download 6dgl
  • View 6dgl
Molmil generated image of 6dgl
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH DARGLITAZONE
Descriptor:Peroxisome proliferator-activated receptor gamma, (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Darglitazone
To Be Published
6DGO
  • Download 6dgo
  • View 6dgo
Molmil generated image of 6dgo
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH TROGLITAZONE
Descriptor:Peroxisome proliferator-activated receptor gamma, (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone
To Be Published
6DGP
  • Download 6dgp
  • View 6dgp
Molmil generated image of 6dgp
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH TRAP220 COACTIVATOR PEPTIDE
Descriptor:Peroxisome proliferator-activated receptor gamma, TRAP220 Coactivator Peptide (Mediator of RNA polymerase II transcription subunit 1)
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with TRAP220 Coactivator Peptide
To Be Published
6DGQ
  • Download 6dgq
  • View 6dgq
Molmil generated image of 6dgq
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH CAY10506
Descriptor:Peroxisome proliferator-activated receptor gamma, N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10506
To Be Published
6DGR
  • Download 6dgr
  • View 6dgr
Molmil generated image of 6dgr
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH CAY10638
Descriptor:Peroxisome proliferator-activated receptor gamma, (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-05-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10638
To Be Published
6DH9
  • Download 6dh9
  • View 6dh9
Molmil generated image of 6dh9
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH MSDC-0602
Descriptor:Peroxisome proliferator-activated receptor gamma, (5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione, nonanoic acid
Authors:Shang, J., Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602
To Be Published
6C1I
  • Download 6c1i
  • View 6c1i
Molmil generated image of 6c1i
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH T0070907
Descriptor:Peroxisome proliferator-activated receptor gamma, 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, nonanoic acid
Authors:Shang, J., Fuhrmann, J., Brust, R., Kojetin, D.J.
Deposit date:2018-01-04
Release date:2018-12-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018
6DHA
  • Download 6dha
  • View 6dha
Molmil generated image of 6dha
CRYSTAL STRUCTURE OF HUMAN PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH HYDROXY PIOGLITAZONE (M-IV)
Descriptor:Peroxisome proliferator-activated receptor gamma, Hydroxy Pioglitazone (M-IV), nonanoic acid
Authors:Shang, J., Mosure, S.A., Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPAR gamma Drug Pioglitazone.
J. Med. Chem., 62, 2019
4L9C
  • Download 4l9c
  • View 4l9c
Molmil generated image of 4l9c
CRYSTAL STRUCTURE OF THE FP DOMAIN OF HUMAN F-BOX PROTEIN FBXO7 (NATIVE)
Descriptor:F-box only protein 7, GLYCEROL
Authors:Du, Z., Huang, X., Shang, J., Yang, Y., Wang, G.
Deposit date:2013-06-18
Release date:2014-01-15
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the FP domain of Fbxo7 reveals a novel mode of protein-protein interaction.
Acta Crystallogr.,Sect.D, 70, 2014
4L9H
  • Download 4l9h
  • View 4l9h
Molmil generated image of 4l9h
CRYSTAL STRUCTURE OF THE FP DOMAIN OF HUMAN F-BOX PROTEIN FBXO7(SEMET)
Descriptor:F-box only protein 7
Authors:Du, Z., Huang, X., Shang, J., Yang, Y., Wang, G.
Deposit date:2013-06-18
Release date:2014-01-15
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the FP domain of Fbxo7 reveals a novel mode of protein-protein interaction.
Acta Crystallogr.,Sect.D, 70, 2014
5Y2F
  • Download 5y2f
  • View 5y2f
Molmil generated image of 5y2f
HUMAN SIRT6 IN COMPLEX WITH ALLOSTERIC ACTIVATOR MDL-801
Descriptor:NAD-dependent protein deacetylase sirtuin-6, 9-mer peptide QTARKSTGG, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, ...
Authors:Zhang, J., Huang, Z., Song, K.
Deposit date:2017-07-25
Release date:2018-11-07
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification of a cellularly active SIRT6 allosteric activator.
Nat. Chem. Biol., 14, 2018
2FJP
  • Download 2fjp
  • View 2fjp
Molmil generated image of 2fjp
HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH AN INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM
Authors:Scapin, G., Patel, S.B., Becker, J.W.
Deposit date:2006-01-03
Release date:2006-07-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
3C43
  • Download 3c43
  • View 3c43
Molmil generated image of 3c43
HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A FLOUROOLEFIN INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G., Edmondson, S.D., Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3C45
  • Download 3c45
  • View 3c45
Molmil generated image of 3c45
HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A FLUOROOLEFIN INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G., Edmondson, S.D., Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
<12>