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234,136 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Citation Author = "Shakespeare, W.C."

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Search Summary

This query matches 17 Structures.

Refinements

Structure Determination Methodology

experimental (17)

Scientific Name of Source Organism

	Homo sapiens (8)
	Mus musculus (5)
	Oryctolagus cuniculus (4)

Taxonomy

Eukaryota (17)

Experimental Method

X-RAY DIFFRACTION (17)

Polymer Entity Type

Protein (17)

Refinement Resolution (Å)

	1.0 - 1.5 (1)
	1.5 - 2.0 (4)
	2.0 - 2.5 (8)
	2.5 - 3.0 (3)
	3.0 - 3.5 (1)

Release Date

	2000 - 2004 (1)
	2005 - 2009 (3)
	2010 - 2014 (6)
	2015 - 2019 (4)
	2020 - 2024 (3)

Enzyme Classification Name

	Transferases (13)
	Oxidoreductases (4)

Symmetry Type

	Asymmetric (10)
	Dihedral (4)
	Cyclic (3)

SCOP Classification

	Alpha and beta proteins (a+b) (14)
	Alpha and beta proteins (a/b) (4)
	Artifacts (4)

AllSelected

1 to 17 of 17 Structures

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1IJR \| pdb_00001ijr	Download File View File

Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic

Kawahata, N.H., Yang, M.H., Luke, G.P., Shakespeare, W.C., Sundaramoorthi, R.

(2001) Bioorg Med Chem Lett 11: 2319-2323

Released	2002-05-01
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK (protein)
Unique Ligands	CC0

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3IK3 \| pdb_00003ik3	Download File View File

AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance

Zhou, T.

(2009) Cancer Cell 16: 401-412

Released	2009-11-03
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Mus musculus
Macromolecule	Proto-oncogene tyrosine-protein kinase ABL1 (protein)
Unique Ligands	0LI

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3KF4 \| pdb_00003kf4	Download File View File

Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template

Zhou, T.

(2010) Chem Biol Drug Des 75: 18-28

Released	2009-12-22
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Mus musculus
Macromolecule	Tyrosine-protein kinase ABL1 (protein)
Unique Ligands	B90

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3KFA \| pdb_00003kfa	Download File View File

Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template

Zhou, T.

(2010) Chem Biol Drug Des 75: 18-28

Released	2009-12-22
Method	X-RAY DIFFRACTION 1.22 Å
Organisms	Mus musculus
Macromolecule	Tyrosine-protein kinase ABL1 (protein)
Unique Ligands	B91

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3OXZ \| pdb_00003oxz	Download File View File

Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534

Zhou, T., Huang, W.S., Wang, Y., Thomas, M., Keats, J., Xu, Q., Rivera, V., Shakespeare, W.C., Clackson, T., Dalgarno, D.C., Zhu, X.

(2011) Chem Biol Drug Des 77: 1-11

Released	2010-12-15
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Mus musculus
Macromolecule	Tyrosine-protein kinase ABL1 (protein)
Unique Ligands	0LI

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3OY3 \| pdb_00003oy3	Download File View File

Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589

Zhou, T., Commodore, L., Huang, W.S., Wang, Y., Thomas, M., Keats, J., Xu, Q., Rivera, V., Shakespeare, W.C., Clackson, T., Dalgarno, D.C., Zhu, X.

(2011) Chem Biol Drug Des 77: 1-11

Released	2010-12-15
Method	X-RAY DIFFRACTION 1.95 Å
Organisms	Mus musculus
Macromolecule	Tyrosine-protein kinase ABL1 (protein)
Unique Ligands	XY3

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4I8X \| pdb_00004i8x	Download File View File

Crystal structure of rabbit LDHA in complex with AP27460

Zhou, T., Stephan, Z.G., Kohlmann, A., Li, F., Commodore, L., Greenfield, M.T., Zhu, X., Dalgarno, D.C.

(2013) J Med Chem 56: 1023-1040

Released	2013-01-23
Method	X-RAY DIFFRACTION 2.23 Å
Organisms	Oryctolagus cuniculus
Macromolecule	L-lactate dehydrogenase A chain (protein)
Unique Ligands	6P3

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4I9H \| pdb_00004i9h	Download File View File

Crystal structure of rabbit LDHA in complex with AP28669

Zhou, T., Stephan, Z.G., Kohlmann, A., Li, F., Commodore, L., Greenfield, M.T., Shakespeare, W.C., Zhu, X., Dalgarno, D.C.

(2013) J Med Chem 56: 1023-1040

Released	2013-01-23
Method	X-RAY DIFFRACTION 2.17 Å
Organisms	Oryctolagus cuniculus
Macromolecule	L-lactate dehydrogenase A chain (protein)
Unique Ligands	1E4

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4I9N \| pdb_00004i9n	Download File View File

Crystal structure of rabbit LDHA in complex with AP28161 and AP28122

Zhou, T., Kohlmann, A., Stephan, Z.G., Li, F., Commodore, L., Greenfield, M.T., Shakespeare, W.C., Zhu, X., Dalgarno, D.C.

(2013) J Med Chem 56: 1023-1040

Released	2013-01-23
Method	X-RAY DIFFRACTION 2.35 Å
Organisms	Oryctolagus cuniculus
Macromolecule	L-lactate dehydrogenase A chain (protein)
Unique Ligands	1E5, 1E6

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4I9U \| pdb_00004i9u	Download File View File

Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256

Zhou, T., Kohlmann, A., Stephan, Z.G., Commodore, L., Greenfield, M.T., Zhu, X., Dalgarno, D.C.

(2013) J Med Chem 56: 1023-1040

Released	2013-01-23
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Oryctolagus cuniculus
Macromolecule	L-lactate dehydrogenase A chain (protein)
Unique Ligands	1E7

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5EQE \| pdb_00005eqe	Download File View File

Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11)

Zhou, T., Zhu, X., Dalgarno, D.C.

(2016) J Med Chem 59: 671-686

Released	2016-01-06
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Homo sapiens
Macromolecule	Choline kinase alpha (protein)
Unique Ligands	5R8

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5EQP \| pdb_00005eqp	Download File View File

Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)

Zhou, T., Zhu, X., Dalgarno, D.C.

(2016) J Med Chem 59: 671-686

Released	2016-01-06
Method	X-RAY DIFFRACTION 2.35 Å
Organisms	Homo sapiens
Macromolecule	Choline kinase alpha (protein)
Unique Ligands	5R9

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5EQY \| pdb_00005eqy	Download File View File

Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)

Zhou, T., Zhu, X., Dalgarno, D.C.

(2016) J Med Chem 59: 671-686

Released	2016-01-06
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Homo sapiens
Macromolecule	Choline kinase alpha (protein)
Unique Ligands	5RA

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6MX8 \| pdb_00006mx8	Download File View File

Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib

Dougan, D.R., Zhou, T.

(2016) J Med Chem 59: 4948-4964

Released	2018-12-12
Method	X-RAY DIFFRACTION 1.96 Å
Organisms	Homo sapiens
Macromolecule	ALK tyrosine kinase receptor (protein)
Unique Ligands	6GY

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7LGS \| pdb_00007lgs	Download File View File

Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.

Skene, R.J., Lane, W.

(2021) Cancer Discov 11: 1672-1687

Released	2021-09-22
Method	X-RAY DIFFRACTION 3.1 Å
Organisms	Homo sapiens
Macromolecule	Epidermal growth factor receptor (protein)
Unique Ligands	CIT, EDO, Q6K

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7T4I \| pdb_00007t4i	Download File View File

Crystal Structure of wild type EGFR in complex with TAK-788

Skene, R.J., Lane, W.

(2022) Bioorg Med Chem Lett 80: 129084-129084

Released	2022-12-07
Method	X-RAY DIFFRACTION 2.61 Å
Organisms	Homo sapiens
Macromolecule	Epidermal growth factor receptor (protein)
Unique Ligands	R28

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7T4J \| pdb_00007t4j	Download File View File

Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788

Skene, R.J., Lane, W., Hu, Y.

(2022) Bioorg Med Chem Lett 80: 129084-129084

Released	2022-12-07
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	Epidermal growth factor receptor (protein)
Unique Ligands	CIT, EDO, R28

1 to 17 of 17 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.

1IJR | pdb_00001ijr

Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic

3IK3 | pdb_00003ik3

AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance

3KF4 | pdb_00003kf4

Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template

3KFA | pdb_00003kfa

Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template

3OXZ | pdb_00003oxz

Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534

3OY3 | pdb_00003oy3

Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589

4I8X | pdb_00004i8x

Crystal structure of rabbit LDHA in complex with AP27460

4I9H | pdb_00004i9h

Crystal structure of rabbit LDHA in complex with AP28669

4I9N | pdb_00004i9n

Crystal structure of rabbit LDHA in complex with AP28161 and AP28122

4I9U | pdb_00004i9u

Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256

5EQE | pdb_00005eqe

Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11)

5EQP | pdb_00005eqp

Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)

5EQY | pdb_00005eqy

Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)

6MX8 | pdb_00006mx8

Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib

7LGS | pdb_00007lgs

Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.

7T4I | pdb_00007t4i

Crystal Structure of wild type EGFR in complex with TAK-788

7T4J | pdb_00007t4j

Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788

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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

1IJR | pdb_00001ijr

3IK3 | pdb_00003ik3

3KF4 | pdb_00003kf4

3KFA | pdb_00003kfa

3OXZ | pdb_00003oxz

3OY3 | pdb_00003oy3

4I8X | pdb_00004i8x

4I9H | pdb_00004i9h

4I9N | pdb_00004i9n

4I9U | pdb_00004i9u

5EQE | pdb_00005eqe

5EQP | pdb_00005eqp

5EQY | pdb_00005eqy

6MX8 | pdb_00006mx8

7LGS | pdb_00007lgs

7T4I | pdb_00007t4i

7T4J | pdb_00007t4j