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233,605 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Citation Author = "Skerlj, R."

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Search Summary

This query matches 13 Structures.

Refinements

Structure Determination Methodology

experimental (13)

Scientific Name of Source Organism

	Homo sapiens (12)
	Plasmodium falciparum 3D7 (1)

Taxonomy

Eukaryota (13)

Experimental Method

X-RAY DIFFRACTION (13)

Polymer Entity Type

Protein (13)

Refinement Resolution (Å)

	1.5 - 2.0 (3)
	2.0 - 2.5 (9)
	2.5 - 3.0 (1)

Release Date

	2010 - 2014 (12)
	2015 - 2019 (1)

Enzyme Classification Name

	Transferases (12)
	Hydrolases (1)
	Oxidoreductases (1)

Symmetry Type

	Asymmetric (12)
	Dihedral (1)

SCOP Classification

	Alpha and beta proteins (a+b) (11)
	Alpha and beta proteins (a/b) (1)

AllSelected

1 to 13 of 13 Structures

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Explore in 3D

3O8A \| pdb_00003o8a	Download File View File

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348

Deng, X., Booker, M.L., Phillips, M.A.

(2010) J Biological Chem 285: 33054-33064

Released	2010-08-18
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Plasmodium falciparum 3D7
Macromolecule	Dihydroorotate dehydrogenase homolog, mitochondrial (protein)
Unique Ligands	FMN, LDA, O8A, ORO

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3R00 \| pdb_00003r00	Download File View File

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

Liu, J.

(2011) Bioorg Med Chem Lett 21: 3050-3056

Released	2011-05-11
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Homo sapiens
Macromolecule	Proto-oncogene serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	IMD, UNJ

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3R01 \| pdb_00003r01	Download File View File

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

Liu, J.

(2011) Bioorg Med Chem Lett 21: 3050-3056

Released	2011-05-11
Method	X-RAY DIFFRACTION 2.6 Å
Organisms	Homo sapiens
Macromolecule	Proto-oncogene serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	IMD, UNE

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3R02 \| pdb_00003r02	Download File View File

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

Xiang, Y., Hirth, B., Asmussen, G., Biemann, H.-P., Good, A., Fitzgerald, M., Gladysheva, T., Jancsics, K., Liu, J., Metz, M., Papoulis, A., Skerlj, R., Stepp, D.J., Wei, R.R.

(2011) Bioorg Med Chem Lett 21: 3050-3056

Released	2011-05-11
Method	X-RAY DIFFRACTION 1.95 Å
Organisms	Homo sapiens
Macromolecule	Proto-oncogene serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	IMD, UNM

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3R04 \| pdb_00003r04	Download File View File

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

Xiang, Y., Hirth, B., Asmussen, G., Biemann, H.-P., Good, A., Fitzgerald, M., Gladysheva, T., Jancsics, K., Liu, J., Metz, M., Papoulis, A., Skerlj, R., Stepp, D.J., Wei, R.R.

(2011) Bioorg Med Chem Lett 21: 3050-3056

Released	2011-05-11
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Proto-oncogene serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	IMD, UNQ

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3VBQ \| pdb_00003vbq	Download File View File

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

Liu, J.

(2012) J Med Chem 55: 2641-2648

Released	2012-03-21
Method	X-RAY DIFFRACTION 1.85 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	0F5

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3VBT \| pdb_00003vbt	Download File View File

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

Liu, J.

(2012) J Med Chem 55: 2641-2648

Released	2012-03-21
Method	X-RAY DIFFRACTION 2.23 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	0F9

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3VBV \| pdb_00003vbv	Download File View File

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

Liu, J.

(2012) J Med Chem 55: 2641-2648

Released	2012-03-21
Method	X-RAY DIFFRACTION 2.08 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	0FK

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3VBW \| pdb_00003vbw	Download File View File

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

Liu, J.

(2012) J Med Chem 55: 2641-2648

Released	2012-03-21
Method	X-RAY DIFFRACTION 2.48 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	0FN

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3VBX \| pdb_00003vbx	Download File View File

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

Liu, J.

(2012) J Med Chem 55: 2641-2648

Released	2012-03-21
Method	X-RAY DIFFRACTION 2.03 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	0FO

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3VBY \| pdb_00003vby	Download File View File

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

Liu, J.

(2012) J Med Chem 55: 2641-2648

Released	2012-03-21
Method	X-RAY DIFFRACTION 2.27 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	0FR, IMD

Explore in 3D

3VC4 \| pdb_00003vc4	Download File View File

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

Liu, J.

(2012) J Med Chem 55: 2641-2648

Released	2012-03-21
Method	X-RAY DIFFRACTION 2.23 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase pim-1 (protein)
Unique Ligands	0FS, IMD

Explore in 3D

5LVX \| pdb_00005lvx	Download File View File

Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator

Zheng, J., Chen, L., Skinner, O.S., Lansbury, P., Skerlj, R., Mrosek, M., Heunisch, U., Krapp, S., Weigand, S., Charrow, J., Schwake, M., Kelleher, N.L., Silverman, R.B., Krainc, D.

(2018) J Am Chem Soc 140: 5914-5924

Released	2017-10-25
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	Glucosylceramidase (protein)
Unique Ligands	79B, 7E4, NAG, PO4
Unique branched monosaccharides	BMA, MAN, NAG

1 to 13 of 13 Structures

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RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.

3O8A | pdb_00003o8a

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348

3R00 | pdb_00003r00

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

3R01 | pdb_00003r01

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

3R02 | pdb_00003r02

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

3R04 | pdb_00003r04

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

3VBQ | pdb_00003vbq

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

3VBT | pdb_00003vbt

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

3VBV | pdb_00003vbv

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

3VBW | pdb_00003vbw

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

3VBX | pdb_00003vbx

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

3VBY | pdb_00003vby

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

3VC4 | pdb_00003vc4

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

5LVX | pdb_00005lvx

Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator

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Structure Determination Methodology

Scientific Name of Source Organism

Taxonomy

Experimental Method

Polymer Entity Type

Refinement Resolution (Å)

Release Date

Enzyme Classification Name

Symmetry Type

SCOP Classification

3O8A | pdb_00003o8a

3R00 | pdb_00003r00

3R01 | pdb_00003r01

3R02 | pdb_00003r02

3R04 | pdb_00003r04

3VBQ | pdb_00003vbq

3VBT | pdb_00003vbt

3VBV | pdb_00003vbv

3VBW | pdb_00003vbw

3VBX | pdb_00003vbx

3VBY | pdb_00003vby

3VC4 | pdb_00003vc4

5LVX | pdb_00005lvx