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234,136 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Citation Author = "Kohlmann, A."

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Search Summary

This query matches 15 Structures.

Refinements

Structure Determination Methodology

experimental (15)

Scientific Name of Source Organism

	Homo sapiens (10)
	Oryctolagus cuniculus (4)
	Pan troglodytes (1)

Taxonomy

Eukaryota (15)

Experimental Method

X-RAY DIFFRACTION (15)

Polymer Entity Type

Protein (15)

Refinement Resolution (Å)

	1.5 - 2.0 (5)
	2.0 - 2.5 (7)
	2.5 - 3.0 (3)

Release Date

	2010 - 2014 (5)
	2015 - 2019 (4)
	2020 - 2024 (6)

Enzyme Classification Name

	Oxidoreductases (7)
	Transferases (7)

Symmetry Type

	Dihedral (4)
	Cyclic (6)
	Asymmetric (5)

SCOP Classification

	Alpha and beta proteins (a+b) (9)
	Alpha and beta proteins (a/b) (7)

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1 to 15 of 15 Structures

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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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4U0I \| pdb_00004u0i	Download File View File

Crystal structure of KIT in complex with ponatinib

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

(2014) Clin Cancer Res 20: 5745-5755

Released	2014-10-08
Method	X-RAY DIFFRACTION 2 Å
Organisms	Homo sapiens
Macromolecule	Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit (protein)
Unique Ligands	0LI, PO4

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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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6W35 \| pdb_00006w35	Download File View File

A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry

Cuozzo, J.W.

(2020) J Med Chem 63: 7840-7856

Released	2020-07-08
Method	X-RAY DIFFRACTION 1.98 Å
Organisms	Pan troglodytes
Macromolecule	Ectonucleotide pyrophosphatase/phosphodiesterase 2 (protein)
Unique Ligands	CA, CL, IOD, MG, NAG, SCN, SKV, ZN
Unique branched monosaccharides	BMA, MAN, NAG

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6W44 \| pdb_00006w44	Download File View File

Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4

Ferguson, A.D.

(2021) J Med Chem 64: 6730-6744

Released	2021-05-12
Method	X-RAY DIFFRACTION 1.64 Å
Organisms	Homo sapiens
Macromolecule	Hydroxyacid oxidase 1 (protein)
Unique Ligands	FMN, SLJ

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6W45 \| pdb_00006w45	Download File View File

Crystal structure of HAO1 in complex with biaryl acid inhibitor - compound 3

Ferguson, A.D.

(2021) J Med Chem 64: 6730-6744

Released	2021-05-12
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Hydroxyacid oxidase 1 (protein)
Unique Ligands	FMN, SLG

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6W4C \| pdb_00006w4c	Download File View File

Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5

Ferguson, A.D.

(2021) J Med Chem 64: 6730-6744

Released	2021-05-12
Method	X-RAY DIFFRACTION 1.75 Å
Organisms	Homo sapiens
Macromolecule	Hydroxyacid oxidase 1 (protein)
Unique Ligands	FMN, SL7

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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 15 of 15 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.

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

4U0I | pdb_00004u0i

Crystal structure of KIT in complex with ponatinib

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

6W35 | pdb_00006w35

A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry

6W44 | pdb_00006w44

Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4

6W45 | pdb_00006w45

Crystal structure of HAO1 in complex with biaryl acid inhibitor - compound 3

6W4C | pdb_00006w4c

Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5

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

4I8X | pdb_00004i8x

4I9H | pdb_00004i9h

4I9N | pdb_00004i9n

4I9U | pdb_00004i9u

4U0I | pdb_00004u0i

5EQE | pdb_00005eqe

5EQP | pdb_00005eqp

5EQY | pdb_00005eqy

6MX8 | pdb_00006mx8

6W35 | pdb_00006w35

6W44 | pdb_00006w44

6W45 | pdb_00006w45

6W4C | pdb_00006w4c

7T4I | pdb_00007t4i

7T4J | pdb_00007t4j