Author results

6AZD
  • Download 6azd
  • View 6azd
Molmil generated image of 6azd
CRYSTAL STRUCTURE OF PHYSCOMITRELLA PATENS KAI2-LIKE H
Descriptor:PpKAI2-like H
Authors:Burger, M., Lee, H.J., Chory, J.
Deposit date:2017-09-11
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.970107 Å)
Cite:Structural Basis of Karrikin and Non-natural Strigolactone Perception in Physcomitrella patens.
Cell Rep, 26, 2019
5AI1
  • Download 5ai1
  • View 5ai1
Molmil generated image of 5ai1
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE CONTAINING Y32F, D40N, Y57F AND Y119F MUTATIONS IN THE EQUILENIN-BOUND FORM
Descriptor:KETOSTEROID ISOMERASE, EQUILENIN
Authors:Cha, H.J., Jeong, J.H., Kim, Y.G.
Deposit date:2015-02-11
Release date:2015-05-20
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Contribution of a Low-Barrier Hydrogen Bond to Catalysis is not Significant in Ketosteroid Isomerase.
Mol.Cells, 38, 2015
5ZNX
  • Download 5znx
  • View 5znx
Molmil generated image of 5znx
CRYSTAL STRUCTURE OF CM14-TREATED HLYU FROM VIBRIO VULNIFICUS
Descriptor:Transcriptional activator
Authors:Park, N., Kim, S., Jo, I., Ahn, J., Hong, S., Jeong, S., Baek, Y.
Deposit date:2018-04-11
Release date:2019-04-10
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:Small-molecule inhibitor of HlyU attenuates virulence of Vibrio species.
Sci Rep, 9, 2019
3NJ4
  • Download 3nj4
  • View 3nj4
Molmil generated image of 3nj4
FLUORO-NEPLANOCIN A IN HUMAN S-ADENOSYLHOMOCYSTEINE HYDROLASE
Descriptor:Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
Authors:Jeong, L.S., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S.
Deposit date:2010-06-17
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystal structure and binding mode analysis of human S-adenosylhomocysteine hydrolase complexed with novel mechanism-based inhibitors, haloneplanocin A analogues.
J.Med.Chem., 54, 2011
3MVE
  • Download 3mve
  • View 3mve
Molmil generated image of 3mve
CRYSTAL STRUCTURE OF A NOVEL PYRUVATE DECARBOXYLASE
Descriptor:UPF0255 protein VV1_0328, SULFATE ION, 1,2-ETHANEDIOL
Authors:Cha, S.S., Jeong, C.S., An, Y.J.
Deposit date:2010-05-04
Release date:2011-05-18
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:FrsA functions as a cofactor-independent decarboxylase to control metabolic flux.
Nat.Chem.Biol., 7, 2011
3OUR
  • Download 3our
  • View 3our
Molmil generated image of 3our
CRYSTAL STRUCTURE OF COMPLEX BETWEEN EIIA AND A NOVEL PYRUVATE DECARBOXYLASE
Descriptor:UPF0255 protein VV1_0328, Phosphotransferase system IIA component
Authors:Jeong, C.S., An, Y.J., Cha, S.S.
Deposit date:2010-09-15
Release date:2011-06-01
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:FrsA functions as a cofactor-independent decarboxylase to control metabolic flux
Nat.Chem.Biol., 7, 2011
2MAH
  • Download 2mah
  • View 2mah
Molmil generated image of 2mah
SOLUTION STRUCTURE OF SMOOTHENED
Descriptor:Protein smoothened
Authors:Rana, R., Lee, H., Zheng, J.J.
Deposit date:2013-07-09
Release date:2014-03-05
Method:SOLUTION NMR
Cite:Structural insights into the role of the Smoothened cysteine-rich domain in Hedgehog signalling.
Nat Commun, 4, 2013
2G0G
  • Download 2g0g
  • View 2g0g
Molmil generated image of 2g0g
STRUCTURE-BASED DRUG DESIGN OF A NOVEL FAMILY OF PPAR PARTIAL AGONISTS: VIRTUAL SCREENING, X-RAY CRYSTALLOGRAPHY AND IN VITRO/IN VIVO BIOLOGICAL ACTIVITIES
Descriptor:Peroxisome proliferator-activated receptor gamma, 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
Authors:Lu, I.L., Peng, Y.H., Huang, C.F., Lin, Y.T., Hsu, J.T.A., Wu, S.Y.
Deposit date:2006-02-13
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
2G0H
  • Download 2g0h
  • View 2g0h
Molmil generated image of 2g0h
STRUCTURE-BASED DRUG DESIGN OF A NOVEL FAMILY OF PPAR PARTIAL AGONISTS: VIRTUAL SCREENING, X-RAY CRYSTALLOGRAPHY AND IN VITRO/IN VIVO BIOLOGICAL ACTIVITIES
Descriptor:Peroxisome proliferator-activated receptor gamma, N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE
Authors:Lu, I.L., Peng, Y.H., Huang, C.F., Lin, Y.T., Hsu, J.T.A., Wu, S.Y.
Deposit date:2006-02-13
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
2HWQ
  • Download 2hwq
  • View 2hwq
Molmil generated image of 2hwq
STRUCTURAL BASIS FOR THE STRUCTURE-ACTIVITY RELATIONSHIPS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR AGONISTS
Descriptor:Peroxisome proliferator-activated receptor gamma, [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID
Authors:Peng, Y.H., Lu, I.L., Mahindroo, N., Lin, C.H., Hsieh, H.P., Wu, S.Y.
Deposit date:2006-08-01
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists
J.Med.Chem., 49, 2006
2HWR
  • Download 2hwr
  • View 2hwr
Molmil generated image of 2hwr
STRUCTURAL BASIS FOR THE STRUCTURE-ACTIVITY RELATIONSHIPS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR AGONISTS
Descriptor:Peroxisome proliferator-activated receptor gamma, 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID
Authors:Peng, Y.H., Lu, I.L., Mahindroo, N., Lin, C.H., Hsieh, H.P., Wu, S.Y.
Deposit date:2006-08-01
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists
J.Med.Chem., 49, 2006
3O1D
  • Download 3o1d
  • View 3o1d
Molmil generated image of 3o1d
STRUCTURE-FUNCTION STUDY OF GEMINI DERIVATIVES WITH TWO DIFFERENT SIDE CHAINS AT C-20, GEMINI-0072 AND GEMINI-0097.
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 2, (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol
Authors:Huet, T., Moras, D., Rochel, N.
Deposit date:2010-07-21
Release date:2011-07-06
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.4007 Å)
Cite:Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Medchemcomm, 2, 2011
3O1E
  • Download 3o1e
  • View 3o1e
Molmil generated image of 3o1e
STRUCTURE-FUNCTION OF GEMINI DERIVATIVES WITH TWO DIFFERENT SIDE CHAINS AT C-20, GEMINI-0072 AND GEMINI-0097.
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 2, (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol
Authors:Huet, T., Moras, D., Rochel, N.
Deposit date:2010-07-21
Release date:2011-07-06
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.5001 Å)
Cite:Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Medchemcomm, 2, 2011
3V0L
  • Download 3v0l
  • View 3v0l
Molmil generated image of 3v0l
CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N-ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, G268A) IN COMPLEX WITH A NOVEL UDP-GAL DERIVED INHIBITOR (2GW)
Descriptor:Histo-blood group ABO system transferase, MANGANESE (II) ION, 5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate, ...
Authors:Palcic, M.M., Jorgensen, R.
Deposit date:2011-12-08
Release date:2013-01-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013
3V0M
  • Download 3v0m
  • View 3v0m
Molmil generated image of 3v0m
CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N-ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, G268A) IN COMPLEX WITH A NOVEL UDP-GAL DERIVED INHIBITOR (5GW) AND H-ANTIGEN ACCEPTOR
Descriptor:Histo-blood group ABO system transferase, MANGANESE (II) ION, 5-phenyluridine 5'-(trihydrogen diphosphate), ...
Authors:Palcic, M.M., Jorgensen, R.
Deposit date:2011-12-08
Release date:2013-01-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013
3V0N
  • Download 3v0n
  • View 3v0n
Molmil generated image of 3v0n
CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N-ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, G268A) IN COMPLEX WITH A NOVEL UDP-GALNAC DERIVED INHIBITOR (3GW AND 4GW)
Descriptor:Histo-blood group ABO system transferase, MANGANESE (II) ION, 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate), ...
Authors:Palcic, M.M., Jorgensen, R.
Deposit date:2011-12-08
Release date:2013-01-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Base-modified donor analogues reveal novel dynamic features of a glycosyltransferase.
J.Biol.Chem., 288, 2013
3V0O
  • Download 3v0o
  • View 3v0o
Molmil generated image of 3v0o
CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N-ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, G268A) IN COMPLEX WITH A NOVEL UDP-GALNAC DERIVED INHIBITOR (4GW) AND H-ANTIGEN ACCEPTOR
Descriptor:Histo-blood group ABO system transferase, MANGANESE (II) ION, 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate), ...
Authors:Palcic, M.M., Jorgensen, R.
Deposit date:2011-12-08
Release date:2013-01-23
Last modified:2015-02-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Base-modified donor analogues reveal novel dynamic features of a glycosyltransferase.
J.Biol.Chem., 288, 2013
3V0P
  • Download 3v0p
  • View 3v0p
Molmil generated image of 3v0p
CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N-ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, G268A) IN COMPLEX WITH A NOVEL UDP-GAL DERIVED INHIBITOR (4GW) AND H-ANTIGEN ACCEPTOR
Descriptor:Histo-blood group ABO system transferase, MANGANESE (II) ION, 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate), ...
Authors:Palcic, M.M., Jorgensen, R.
Deposit date:2011-12-08
Release date:2013-01-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013
3V0Q
  • Download 3v0q
  • View 3v0q
Molmil generated image of 3v0q
CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N-ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, G268A) IN COMPLEX WITH UDP AND H-ANTIGEN ACCEPTOR
Descriptor:Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Palcic, M.M., Jorgensen, R.
Deposit date:2011-12-08
Release date:2013-01-23
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013
4IA1
  • Download 4ia1
  • View 4ia1
Molmil generated image of 4ia1
DIASTEREOTOPIC AND DEUTERIUM EFFECTS IN GEMINI
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 2, 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, ...
Authors:Maehr, H., Rochel, N., Suh, N., Uskokovic, M.
Deposit date:2012-12-06
Release date:2013-04-24
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Diastereotopic and deuterium effects in gemini.
J.Med.Chem., 56, 2013
4IA2
  • Download 4ia2
  • View 4ia2
Molmil generated image of 4ia2
DIASTEREOTOPIC AND DEUTERIUM EFFECTS IN GEMINI
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 2, 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, ...
Authors:Maehr, H., Rochel, N., Suh, N., Uskokovic, M.
Deposit date:2012-12-06
Release date:2013-04-24
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Diastereotopic and deuterium effects in gemini.
J.Med.Chem., 56, 2013
4IA3
  • Download 4ia3
  • View 4ia3
Molmil generated image of 4ia3
DIASTEREOTOPIC AND DEUTERIUM EFFECTS IN GEMINI
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 2, 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, ...
Authors:Maehr, H., Rochel, N., Suh, N., Uskokovic, M.
Deposit date:2012-12-06
Release date:2013-04-24
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Diastereotopic and deuterium effects in gemini.
J.Med.Chem., 56, 2013
4IA7
  • Download 4ia7
  • View 4ia7
Molmil generated image of 4ia7
DIASTEREOTOPIC AND DEUTERIUM EFFECTS IN GEMINI
Descriptor:Vitamin D3 receptor A, Nuclear receptor coactivator 2, 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, ...
Authors:Maehr, H., Rochel, N., Suh, N., Uskokovic, M.
Deposit date:2012-12-06
Release date:2013-04-24
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Diastereotopic and deuterium effects in gemini.
J.Med.Chem., 56, 2013
5A1N
  • Download 5a1n
  • View 5a1n
Molmil generated image of 5a1n
THE CRYSTAL STRUCTURE OF THE GST-LIKE DOMAINS COMPLEX OF EPRS-AIMP2 MUTANT S156D
Descriptor:BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE, AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONAL PROTEIN 2, GLYCEROL
Authors:Cho, H.Y., Choi, Y.S., Kang, B.S.
Deposit date:2015-05-03
Release date:2016-06-01
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Symmetric Assembly of a Decameric Subcomplex in Human Multi-tRNA Synthetase Complex Via Interactions between Glutathione Transferase-Homology Domains and Aspartyl-tRNA Synthetase.
J.Mol.Biol., 2019
5EW9
  • Download 5ew9
  • View 5ew9
Molmil generated image of 5ew9
CRYSTAL STRUCTURE OF AURORA A KINASE DOMAIN BOUND TO MK-5108
Descriptor:Aurora kinase A, 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
Authors:Shiau, A.K., Motamedi, A.
Deposit date:2015-11-20
Release date:2016-01-20
Method:X-RAY DIFFRACTION (2.181 Å)
Cite:A Cell Biologist's Field Guide to Aurora Kinase Inhibitors.
Front Oncol, 5, 2015