RCSB PDB: Search

2HKF \| pdb_00002hkf	Download File View File

Crystal structure of the Complex Fab M75- Peptide

Kral, V., Mader, P., Stouracova, R., Fabry, M., Horejsi, M., Brynda, J.

(2008) Proteins 71: 1275-1287

Released	2007-11-13
Method	X-RAY DIFFRACTION 2.01 Å
Organisms	Homo sapiens Mus musculus
Macromolecule	Carbonic anhydrase 9 (protein) Immunoglobulin Heavy chain Fab fragment (protein) Immunoglobulin Light chain Fab fragment (protein)

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2HKH \| pdb_00002hkh	Download File View File

Crystal structure of the Fab M75

Kral, V., Mader, P., Stouracova, R., Fabry, M., Sedlacek, J., Brynda, J.

(2008) Proteins 71: 1275-1287

Released	2007-11-13
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Mus musculus
Macromolecule	Immunoglobulin Heavy chain Fab fragment (protein) Immunoglobulin Light chain Fab fragment (protein)
Unique Ligands	GOL

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3IGP \| pdb_00003igp	Download File View File

Structure of inhibitor binding to Carbonic Anhydrase II

Gitto, R., Agnello, S., Brynda, J., Mader, P., Supuran, C.T., Chimirri, A.

(2010) J Med Chem

Released	2010-03-09
Method	X-RAY DIFFRACTION 1.65 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	DT7, GOL, ZN

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3PO6 \| pdb_00003po6	Download File View File

Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide

Mader, P., Brynda, J., Gitto, R., Agnello, S., Ferro, S., De Luca, L., Vullo, D., Supuran, C.T., Chimirri, A.

(2011) J Med Chem 54: 2522-2526

Released	2011-04-06
Method	X-RAY DIFFRACTION 1.47 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	ACT, DT9, GOL, RDT, ZN

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3V7X \| pdb_00003v7x	Download File View File

Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide

Mader, P., Brynda, J., Rezacova, P.

(2012) J Med Chem 55: 3891-3899

Released	2012-04-04
Method	X-RAY DIFFRACTION 1.03 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	D7A, GOL, MBO, ZN

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3VBD \| pdb_00003vbd	Download File View File

Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide

Mader, P., Brynda, J., Rezacova, P.

(2012) J Med Chem 55: 3891-3899

Released	2012-04-04
Method	X-RAY DIFFRACTION 1.05 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	0FZ, GOL, MBO, ZN

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4MDG \| pdb_00004mdg	Download File View File

Closo Carborane Carbonic Anhydrase Inhibitor

Brynda, J., Mader, P., Rezacova, P.

(2013) Angew Chem Int Ed Engl 52: 13760-13763

Released	2014-01-01
Method	X-RAY DIFFRACTION 1.35 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	25X, ZN

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4MDL \| pdb_00004mdl	Download File View File

Meta Carborane Carbonic Anhydrase Inhibitor

Brynda, J., Mader, P., Rezacova, P., Cigler, P.

(2013) Angew Chem Int Ed Engl 52: 13760-13763

Released	2014-01-01
Method	X-RAY DIFFRACTION 1.516 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	25Y, MBO, ZN

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4MDM \| pdb_00004mdm	Download File View File

Nido-Carborane Carbonic Anhydrase Inhibitor

Brynda, J., Mader, P., Rezacova, P., Cigler, P., Gruner, B.

(2013) Angew Chem Int Ed Engl 52: 13760-13763

Released	2014-01-01
Method	X-RAY DIFFRACTION 1.55 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	26E, ZN

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4Q78 \| pdb_00004q78	Download File View File

Structure-assisted design of carborane-based inhibitors of carbonic anhydrase

Mader, P., Brynda, J., Rezacova, P.

(2014) Biomed Res Int 2014: 389869-389869

Released	2015-03-18
Method	X-RAY DIFFRACTION 1 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	25X, MBO, ZN

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4RG2 \| pdb_00004rg2	Download File View File

Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand

Dong, A., Mader, P., James, L., Perfetti, M., Tempel, W., Frye, S., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Structural Genomics Consortium (SGC)

(2015) ACS Chem Biol 10: 1072-1081

Released	2014-10-15
Method	X-RAY DIFFRACTION 1.5 Å
Organisms	Homo sapiens
Macromolecule	Tumor suppressor p53-binding protein 1 (protein)
Unique Ligands	3OO, EDO, UNX

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5C6S \| pdb_00005c6s	Download File View File

Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a

DONG, A., DOBROVETSKY, E., MADER, P., Santhakumar, S., TEMPEL, W., Arrowsmith, C.H., Edwards, A.M., BROWN, P.J., Structural Genomics Consortium (SGC)

To be published

Released	2015-07-29
Method	X-RAY DIFFRACTION 1.3 Å
Organisms	Homo sapiens
Macromolecule	Peregrin (protein)
Unique Ligands	4K8, CL, EPE, UNX

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5KCH \| pdb_00005kch	Download File View File

SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density

Tempel, W., Harding, R.J., Mader, P., Dobrovetsky, E., Walker, J.R., Brown, P.J., Schapira, M., Collins, P., Pearce, N., Brandao-Neto, J., Douangamath, A., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Santhakumar, V., Structural Genomics Consortium (SGC)

To be published

Released	2016-07-27
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	6RN, DMS, SO4, UNX

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5KCO \| pdb_00005kco	Download File View File

SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy

Tempel, W., Harding, R.J., Mader, P., Dobrovetsky, E., Walker, J.R., Brown, P.J., Schapira, M., Collins, P., Pearce, N., Brandao-Neto, J., Douangamath, A., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Santhakumar, V., Structural Genomics Consortium (SGC)

To be published

Released	2016-07-27
Method	X-RAY DIFFRACTION 1.47 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	6RO, DMS, SO4, UNX

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5KE2 \| pdb_00005ke2	Download File View File

Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A

Dong, A., Iqbal, A., Mader, P., Dobrovetsky, E., Walker, J.R., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Structural Genomics Consortium (SGC)

To be published

Released	2016-07-13
Method	X-RAY DIFFRACTION 1.56 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	6S4, EDO, SO4, UNX

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5KE3 \| pdb_00005ke3	Download File View File

Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a

Dong, A., Iqbal, A., Mader, P., Dobrovetsky, E., Ferreira de Freitas, R., Walker, J.R., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Schapira, M., Brown, P.J., Structural Genomics Consortium (SGC)

To be published

Released	2016-08-03
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	6S5, BME, SO4, UNX

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5KH6 \| pdb_00005kh6	Download File View File

SETDB1 in complex with a fragment candidate

Walker, J.R., Harding, R.J., Mader, P., Dobrovetsky, E., Dong, A., Collins, P., Pearce, N., Brandao-Neto, J., Douangamath, A., von Delft, F., Brown, P.J., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Santhakumar, V., Structural Genomics Consortium (SGC)

To be published

Released	2016-09-21
Method	X-RAY DIFFRACTION 2.05 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	6SU, ACT, CL, DMS, EDO, GOL, PEG, SO4

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5QT1 \| pdb_00005qt1	Download File View File

PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOMB000017a

Harding, R.J., Tempel, W., DOUANGAMATH, A., BRANDAO-NETO, J., Collins, P.M., Krojer, T., Mader, P., Schapira, M., von Delft, F., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Santhakumar, V.

To be published

Released	2019-08-21
Method	X-RAY DIFFRACTION 1.58 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	DMS, DSJ, EDO, SO4, UNX

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5QT2 \| pdb_00005qt2	Download File View File

PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOPL000074a

Harding, R.J., Tempel, W., DOUANGAMATH, A., BRANDAO-NETO, J., Collins, P.M., Krojer, T., Mader, P., Schapira, M., von Delft, F., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Santhakumar, V.

To be published

Released	2019-08-21
Method	X-RAY DIFFRACTION 1.59 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	AW7, DMS, EDO, SO4, UNX

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6AU2 \| pdb_00006au2	Download File View File

Crystal structure of SETDB1 Tudor domain with aryl triazole fragments

MADER, P., Mendoza-Sanchez, R., IQBAL, A., DONG, A., DOBROVETSKY, E., CORLESS, V.B., LIEW, S.K., TEMPEL, W., SMIL, D., DELA SENA, C.C., KENNEDY, S., DIAZ, D., HOLOWNIA, A., VEDADI, M., BROWN, P.J., SANTHAKUMAR, V., Bountra, C., Edwards, A.M., YUDIN, A.K., Arrowsmith, C.H., Structural Genomics Consortium (SGC)

(2019) Bioorg Med Chem 27: 3866-3878

Released	2017-10-11
Method	X-RAY DIFFRACTION 1.63 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	BME, CGJ, EDO, SO4, UNX

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6AU3 \| pdb_00006au3	Download File View File

Crystal structure of SETDB1 Tudor domain with aryl triazole fragments

MADER, P., Mendoza-Sanchez, R., IQBAL, A., DONG, A., DOBROVETSKY, E., CORLESS, V.B., LIEW, S.K., TEMPEL, W., SMIL, D., DELA SENA, C.C., KENNEDY, S., DIAZ, D., HOLOWNIA, A., VEDADI, M., BROWN, P.J., SANTHAKUMAR, V., Bountra, C., Edwards, A.M., YUDIN, A.K., Arrowsmith, C.H., Structural Genomics Consortium (SGC)

To be published

Released	2017-09-27
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein)
Unique Ligands	BWM, EDO, SO4, UNX

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6BPI \| pdb_00006bpi	Download File View File

Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates

MADER, P., Mendoza-Sanchez, R., DONG, A., DOBROVETSKY, E., IQBAL, A., CORLESS, V., TEMPEL, W., LIEW, S.K., SMIL, D., DELA SENA, C.C., KENNEDY, S., DIAZ, D.B., SCHAPIRA, M., VEDADI, M., BROWN, P.J., Santhakumar, V., FRYE, S., Bountra, C., Edwards, A.M., YUDIN, A.K., Arrowsmith, C.H., Structural Genomics Consortium (SGC)

To be published

Released	2017-12-27
Method	X-RAY DIFFRACTION 1.64 Å
Organisms	Homo sapiens
Macromolecule	Histone-lysine N-methyltransferase SETDB1 (protein) MLY-SER-THR-E2G (protein)
Unique Ligands	EDO, SO4, UNX

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6GSZ \| pdb_00006gsz	Download File View File

Crystal structure of native alfa-L-rhamnosidase from Aspergillus terreus

Pachl, P., Rezacova, P., Skerlova, J.

(2018) Acta Crystallogr D Struct Biol 74: 1078-1084

Released	2018-11-14
Method	X-RAY DIFFRACTION 1.38 Å
Organisms	Aspergillus terreus
Macromolecule	Alpha-L-rhamnosidase (protein)
Unique Ligands	1PE, ACT, BGC, CA, DTU, EDO, MPO, NAG, PG0, PG4, PGE
Unique branched monosaccharides	BMA, MAN, NAG

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6UUO \| pdb_00006uuo	Download File View File

Crystal structure of BRAF kinase domain bound to the PROTAC P4B

Maisonneuve, P., Posternak, G., Kurinov, I., Sicheri, F.

(2020) Nat Chem Biol 16: 1170-1178

Released	2020-06-03
Method	X-RAY DIFFRACTION 3.288 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase B-raf (protein)
Unique Ligands	QH1

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7U3E \| pdb_00007u3e	Download File View File

GID4 in complex with compound 1

Chana, C.K., Sicheri, F.

(2022) J Med Chem 65: 12725-12746

Released	2022-10-05
Method	X-RAY DIFFRACTION 1.852 Å
Organisms	Homo sapiens
Macromolecule	Glucose-induced degradation protein 4 homolog (protein)
Unique Ligands	L4O

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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

2HKF | pdb_00002hkf

2HKH | pdb_00002hkh

3IGP | pdb_00003igp

3PO6 | pdb_00003po6

3V7X | pdb_00003v7x

3VBD | pdb_00003vbd

4MDG | pdb_00004mdg

4MDL | pdb_00004mdl

4MDM | pdb_00004mdm

4Q78 | pdb_00004q78

4RG2 | pdb_00004rg2

5C6S | pdb_00005c6s

5KCH | pdb_00005kch

5KCO | pdb_00005kco

5KE2 | pdb_00005ke2

5KE3 | pdb_00005ke3

5KH6 | pdb_00005kh6

5QT1 | pdb_00005qt1

5QT2 | pdb_00005qt2

6AU2 | pdb_00006au2

6AU3 | pdb_00006au3

6BPI | pdb_00006bpi

6GSZ | pdb_00006gsz

6UUO | pdb_00006uuo

7U3E | pdb_00007u3e