RCSB PDB: Search

3DQ0 \| pdb_00003dq0	Download File View File

Maize cytokinin oxidase/dehydrogenase complexed with N6-(3-methoxy-phenyl)adenine

Kopecny, D., Briozzo, P.

To be published

Released	2009-07-14
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Zea mays
Macromolecule	Cytokinin dehydrogenase 1 (protein)
Unique Ligands	FAD, MZO, NAG
Unique branched monosaccharides	NAG

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4AOF \| pdb_00004aof	Download File View File

Selective small molecule inhibitor discovered by chemoproteomic assay platform reveals regulation of Th17 cell differentiation by PI3Kgamma

Bergamini, G., Bell, K., Shimamura, S., Werner, T., Cansfield, A., Muller, K., Perrin, J., Rau, C., Ellard, K., Hopf, C., Doce, C., Leggate, D., Mangano, R., Mathieson, T., OMahony, A., Plavec, I., Rharbaoui, F., Reinhard, F., Savitski, M.M., Ramsden, N., Hirsch, E., Drewes, G., Rausch, O., Bantscheff, M., Neubauer, G.

(2012) Nat Chem Biol 8: 576

Released	2012-05-09
Method	X-RAY DIFFRACTION 3.3 Å
Organisms	Homo sapiens
Macromolecule	PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM (protein)
Unique Ligands	7L0

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4CFK \| pdb_00004cfk	Download File View File

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002

Chung, C., Dittmann, A., Drewes, G.

(2014) ACS Chem Biol 9: 495

Released	2014-01-15
Method	X-RAY DIFFRACTION 1.55 Å
Organisms	Homo sapiens
Macromolecule	BRD4 PROTEIN (protein)
Unique Ligands	EDO, GOL, LY2

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4CFL \| pdb_00004cfl	Download File View File

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511

Chung, C., Dittmann, A., Drewes, G.

(2014) ACS Chem Biol 9: 495

Released	2014-01-15
Method	X-RAY DIFFRACTION 1.32 Å
Organisms	Homo sapiens
Macromolecule	BRD4 PROTEIN (protein)
Unique Ligands	8DQ, EDO, GOL

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4IR3 \| pdb_00004ir3	Download File View File

Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone (GSK2833282A)

Chaikuad, A., Felletar, I., Chung, C.W., Drewry, D., Chen, P., Filippakopoulos, P., Fedorov, O., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

(2016) J Med Chem 59: 1410-1424

Released	2013-01-23
Method	X-RAY DIFFRACTION 2 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain adjacent to zinc finger domain protein 2B (protein)
Unique Ligands	1FK, EDO, GOL

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4IR4 \| pdb_00004ir4	Download File View File

Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone (GSK2834113A)

Chaikuad, A., Felletar, I., Chung, C.W., Drewry, D., Chen, P., Filippakopoulos, P., Fedorov, O., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

(2016) J Med Chem 59: 1410-1424

Released	2013-01-23
Method	X-RAY DIFFRACTION 2.05 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain adjacent to zinc finger domain protein 2B (protein)
Unique Ligands	EDO, IR4

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4IR5 \| pdb_00004ir5	Download File View File

Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone (GSK2847449A)

Chaikuad, A., Felletar, I., Chung, C.W., Drewry, D., Chen, P., Filippakopoulos, P., Fedorov, O., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

(2016) J Med Chem 59: 1410-1424

Released	2013-01-23
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain adjacent to zinc finger domain protein 2B (protein)
Unique Ligands	EDO, IR5

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4IR6 \| pdb_00004ir6	Download File View File

Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A)

Chaikuad, A., Felletar, I., Chung, C.W., Drewry, D., Chen, P., Filippakopoulos, P., Fedorov, O., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

(2016) J Med Chem 59: 1410-1424

Released	2013-01-23
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain adjacent to zinc finger domain protein 2B (protein)
Unique Ligands	EDO, IR6

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4RVR \| pdb_00004rvr	Download File View File

Crystal Structure of the bromodomain of human BAZ2B in complex WITH GSK2801

Chaikuad, A., Felletar, I., Chung, C.W., Drewry, D., Chen, P., Filippakopoulos, P., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

(2016) J Med Chem 59: 1410-1424

Released	2014-12-10
Method	X-RAY DIFFRACTION 1.98 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain adjacent to zinc finger domain protein 2B (protein)
Unique Ligands	3WQ, EDO

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5A81 \| pdb_00005a81	Download File View File

Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one

Chung, C., Bamborough, P., Demont, E.

(2015) J Med Chem 58: 6151

Released	2015-08-12
Method	X-RAY DIFFRACTION 2.03 Å
Organisms	Homo sapiens
Macromolecule	ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2 (protein)
Unique Ligands	78J, EDO, SO4

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5A82 \| pdb_00005a82	Download File View File

Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione

Chung, C., Bamborough, P., Demont, E.

(2015) J Med Chem 58: 6151

Released	2015-08-12
Method	X-RAY DIFFRACTION 1.86 Å
Organisms	Homo sapiens
Macromolecule	ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2 (protein)
Unique Ligands	EDO, SO4, YEJ

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5A83 \| pdb_00005a83	Download File View File

Crystal structure of human ATAD2 bromodomain in complex with 4-((3R, 4R)-4-3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydroquinolin-8- yl-aminopiperidin-3-yloxymethyl)-1-thiane-1,1-dione

Chung, C., Bamborough, P., Demont, E.

(2015) J Med Chem 58: 6151

Released	2015-08-12
Method	X-RAY DIFFRACTION 2.09 Å
Organisms	Homo sapiens
Macromolecule	ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2 (protein)
Unique Ligands	EDO, SO4, YD3

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5A85 \| pdb_00005a85	Download File View File

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one

Chung, C., Bamborough, P., Demont, E.

(2015) J Med Chem 58: 6151

Released	2015-08-12
Method	X-RAY DIFFRACTION 1.72 Å
Organisms	Homo sapiens
Macromolecule	BROMODOMAIN-CONTAINING PROTEIN 4 (protein)
Unique Ligands	78J, EDO

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6EYZ \| pdb_00006eyz	Download File View File

PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate

Convery, M.A., Campos, S., Dalton, S.E.

(2018) J Am Chem Soc 140: 932-939

Released	2017-12-20
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Mus musculus
Macromolecule	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (protein)
Unique Ligands	C5W

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6EZ6 \| pdb_00006ez6	Download File View File

PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate

Convery, M.A., Campos, S., Dalton, S.E.

(2018) J Am Chem Soc 140: 932-939

Released	2017-12-27
Method	X-RAY DIFFRACTION 2.04 Å
Organisms	Mus musculus
Macromolecule	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (protein)
Unique Ligands	C5Z

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6HDN \| pdb_00006hdn	Download File View File

Crystal structure of human ATAD2 bromodomain in complex with 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one

Chung, C.

(2018) J Med Chem 61: 8321-8336

Released	2018-09-26
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Homo sapiens
Macromolecule	ATPase family AAA domain-containing protein 2 (protein)
Unique Ligands	EDO, FZB, SO4

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6HDO \| pdb_00006hdo	Download File View File

Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)quinolin-2(1H)-one

Chung, C.

(2018) J Med Chem 61: 8321-8336

Released	2018-09-26
Method	X-RAY DIFFRACTION 2.61 Å
Organisms	Homo sapiens
Macromolecule	ATPase family AAA domain-containing protein 2 (protein)
Unique Ligands	EDO, FZH, SO4

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6HDQ \| pdb_00006hdq	Download File View File

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH : 8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one

Chung, C.

(2018) J Med Chem 61: 8321-8336

Released	2018-09-26
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain-containing protein 4 (protein)
Unique Ligands	EDO, FZE

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6SWN \| pdb_00006swn	Download File View File

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778)

Chung, C.

(2020) Science 368: 387-394

Released	2020-04-01
Method	X-RAY DIFFRACTION 1.28 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain-containing protein 4 (protein)
Unique Ligands	EDO, GLU, LWB

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6SWO \| pdb_00006swo	Download File View File

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD1 (GSK778)

Chung, C.

(2020) Science 368: 387-394

Released	2020-04-01
Method	X-RAY DIFFRACTION 1.601 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain-containing protein 2 (protein)
Unique Ligands	EDO, LWB

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6SWP \| pdb_00006swp	Download File View File

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046)

Chung, C.

(2020) Science 368: 387-394

Released	2020-04-01
Method	X-RAY DIFFRACTION 1.604 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain-containing protein 2 (protein)
Unique Ligands	EDO, LW5

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6SWQ \| pdb_00006swq	Download File View File

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD2 (GSK046)

Chung, C.

(2020) Science 368: 387-394

Released	2020-04-01
Method	X-RAY DIFFRACTION 1.601 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain-containing protein 4 (protein)
Unique Ligands	EDO, LW5

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6X9I \| pdb_00006x9i	Download File View File

Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA

Pathuri, S., Horton, J.R., Cheng, X.

(2021) Nat Cancer 2: 1002-1017

Released	2021-07-07
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	DNA (cytosine-5)-methyltransferase 1 (protein) DNA (5'-D(GPAPGPGPCP(5CM)PGPCPCPTPGPC)-3') (nucleic acid) DNA (5'-D(GPCPAPGPG)-R(P(PYO))-D(PGPGPCPCPTPC)-3') (nucleic acid)
Unique Ligands	EDO, GOL, SAH, ZN

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6X9J \| pdb_00006x9j	Download File View File

Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052

Pathuri, S., Horton, J.R., Cheng, X.

(2021) Nat Cancer 2: 1002-1017

Released	2021-07-07
Method	X-RAY DIFFRACTION 1.79 Å
Organisms	Homo sapiens
Macromolecule	DNA (cytosine-5)-methyltransferase 1 (protein) DNA (5'-D(GPAPGPGPCP(5CM)PGPCPCPTPGPC)-3') (nucleic acid) DNA (5'-D(GPCPAPGPG)-R(P(PYO))-D(PGPGPCPCPTPC)-3') (nucleic acid)
Unique Ligands	EDO, X52, ZN

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6X9K \| pdb_00006x9k	Download File View File

Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A

Pathuri, S., Horton, J.R., Cheng, X.

(2021) Nat Cancer 2: 1002-1017

Released	2021-07-07
Method	X-RAY DIFFRACTION 2.65 Å
Organisms	Homo sapiens
Macromolecule	DNA (cytosine-5)-methyltransferase 1 (protein) DNA (5'-D(GPAPGPGPCP(5CM)PGPCPCPTPGPC)-3') (nucleic acid) DNA (5'-D(GPCPAPGPG)-R(P(PYO))-D(PGPGPCPCPTPC)-3') (nucleic acid)
Unique Ligands	EDO, UXM, ZN

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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

3DQ0 | pdb_00003dq0

4AOF | pdb_00004aof

4CFK | pdb_00004cfk

4CFL | pdb_00004cfl

4IR3 | pdb_00004ir3

4IR4 | pdb_00004ir4

4IR5 | pdb_00004ir5

4IR6 | pdb_00004ir6

4RVR | pdb_00004rvr

5A81 | pdb_00005a81

5A82 | pdb_00005a82

5A83 | pdb_00005a83

5A85 | pdb_00005a85

6EYZ | pdb_00006eyz

6EZ6 | pdb_00006ez6

6HDN | pdb_00006hdn

6HDO | pdb_00006hdo

6HDQ | pdb_00006hdq

6SWN | pdb_00006swn

6SWO | pdb_00006swo

6SWP | pdb_00006swp

6SWQ | pdb_00006swq

6X9I | pdb_00006x9i

6X9J | pdb_00006x9j

6X9K | pdb_00006x9k