RCSB PDB: Search

1A3A \| pdb_00001a3a	Download File View File

CRYSTAL STRUCTURE OF IIA MANNITOL FROM ESCHERICHIA COLI

Van Montfort, R.L.M., Pijning, T., Kalk, K.H., Hangyi, I., Kouwijzer, M.L.C.E., Robillard, G.T., Dijkstra, B.W.

(1998) Structure 6: 377-388

Released	1998-08-12
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Escherichia coli K-12
Macromolecule	MANNITOL-SPECIFIC EII (protein)

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1GME \| pdb_00001gme	Download File View File

Crystal structure and assembly of an eukaryotic small heat shock protein

Van Montfort, R.L.M., Basha, E., Friedrich, K.L., Slingsby, C., Vierling, E.

(2001) Nat Struct Biol 8: 1025

Released	2001-11-29
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Triticum aestivum
Macromolecule	HEAT SHOCK PROTEIN 16.9B (protein)

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1IIB \| pdb_00001iib	Download File View File

CRYSTAL STRUCTURE OF IIBCELLOBIOSE FROM ESCHERICHIA COLI

Van Montfort, R.L.M., Pijning, T., Kalk, K.H., Reizer, J., Saier, M.H., Thunnissen, M.M.G.M., Robillard, G.T., Dijkstra, B.W.

(1997) Structure 5: 217-225

Released	1997-12-24
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Escherichia coli K-12
Macromolecule	ENZYME IIB OF THE CELLOBIOSE-SPECIFIC PHOSPHOTRANSFERASE SYSTEM (protein)

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1OES \| pdb_00001oes	Download File View File

Oxidation state of protein tyrosine phosphatase 1B

van Montfort, R.L.M., Congreve, M., Tisi, D., Carr, R., Jhoti, H.

(2003) Nature 423: 773-777

Released	2003-06-12
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 (protein)
Unique Ligands	MG

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1OET \| pdb_00001oet	Download File View File

Oxidation state of protein tyrosine phosphatase 1B

van Montfort, R.L.M., Congreve, M., Tisi, D., Carr, R., Jhoti, H.

(2003) Nature 423: 773-777

Released	2003-06-12
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Homo sapiens
Macromolecule	-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 (protein)
Unique Ligands	MG

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1OEU \| pdb_00001oeu	Download File View File

Oxidation state of protein tyrosine phosphatase 1B

van Montfort, R.L.M., Congreve, M., Tisi, D., Carr, R., Jhoti, H.

(2003) Nature 423: 773-777

Released	2003-06-12
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Homo sapiens
Macromolecule	PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 (protein)
Unique Ligands	MG

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1OEV \| pdb_00001oev	Download File View File

Oxidation state of protein tyrosine phosphatase 1B

van Montfort, R.L.M., Congreve, M., Tisi, D., Carr, R., Jhoti, H.

(2003) Nature 423: 773-777

Released	2003-06-12
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 (protein)
Unique Ligands	MG

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1OKI \| pdb_00001oki	Download File View File

Crystal structure of truncated human beta-B1-crystallin

van Montfort, R.L.M., Bateman, O.A., Lubsen, N.H., Slingsby, C.

(2003) Protein Sci 12: 2606

Released	2004-01-22
Method	X-RAY DIFFRACTION 1.4 Å
Organisms	Homo sapiens
Macromolecule	BETA CRYSTALLIN B1 (protein)

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2C8W \| pdb_00002c8w	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 1.96 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN LIGHT CHAIN (protein)
Unique Ligands	C7M, NA

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2C8X \| pdb_00002c8x	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.17 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN LIGHT CHAIN (protein)
Unique Ligands	C5M, DMS, NA

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2C8Y \| pdb_00002c8y	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN LIGHT CHAIN (protein)
Unique Ligands	C3M, DMS, NA

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2C8Z \| pdb_00002c8z	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.14 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN, LIGHT CHAIN (protein)
Unique Ligands	C2A, DMS, NA

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2C90 \| pdb_00002c90	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.25 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN LIGHT CHAIN (protein)
Unique Ligands	C1M, DMS, NA

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2C93 \| pdb_00002c93	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN, LIGHT CHAIN (protein)
Unique Ligands	C4M, DMS, NA

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4A9R \| pdb_00004a9r	Download File View File

CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR

Matijssen, C., Silva-Santisteban, M.C., Westwood, I.M., Siddique, S., Choi, V., Sheldrake, P., van Montfort, R.L.M., Blagg, J.

(2012) Bioorg Med Chem 20: 6630

Released	2012-10-10
Method	X-RAY DIFFRACTION 2.85 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	EDO, NO3, RU5

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4A9S \| pdb_00004a9s	Download File View File

CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR

Matijssen, C., Silva-Santisteban, M.C., Westwood, I.M., Siddique, S., Choi, V., Sheldrake, P., van Montfort, R.L.M., Blagg, J.

(2012) Bioorg Med Chem 20: 6630

Released	2012-10-10
Method	X-RAY DIFFRACTION 2.66 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	NO3, RU9

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4A9T \| pdb_00004a9t	Download File View File

CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR

Matijssen, C., Silva-Santisteban, M.C., Westwood, I.M., Siddique, S., Choi, V., Sheldrake, P., van Montfort, R.L.M., Blagg, J.

(2012) Bioorg Med Chem 20: 6630

Released	2012-10-10
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	A9T, EDO, NO3

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4A9U \| pdb_00004a9u	Download File View File

CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR

Matijssen, C., Silva-Santisteban, M.C., Westwood, I.M., Siddique, S., Choi, V., Sheldrake, P., van Montfort, R.L.M., Blagg, J.

(2012) Bioorg Med Chem 20: 6630

Released	2012-10-10
Method	X-RAY DIFFRACTION 2.48 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	A9U, CL, EDO, NO3

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4BDA \| pdb_00004bda	Download File View File

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.

(2013) PLoS One 8: 65689

Released	2013-06-26
Method	X-RAY DIFFRACTION 2.6 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	CL, EDO, NO3, VFB

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4BDB \| pdb_00004bdb	Download File View File

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.

(2013) PLoS One 8: 65689

Released	2013-06-26
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	EDO, NO3, ODO

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4BDC \| pdb_00004bdc	Download File View File

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.

(2013) PLoS One 8: 65689

Released	2013-06-26
Method	X-RAY DIFFRACTION 3 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	CL, EDO, NO3, ODH

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4BDD \| pdb_00004bdd	Download File View File

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.

(2013) PLoS One 8: 65689

Released	2013-06-26
Method	X-RAY DIFFRACTION 2.67 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	EDO, NO3, Z0O

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4BDE \| pdb_00004bde	Download File View File

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.

(2013) PLoS One 8: 65689

Released	2013-06-26
Method	X-RAY DIFFRACTION 2.55 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	CWS, EDO, NO3

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4BDF \| pdb_00004bdf	Download File View File

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.

(2013) PLoS One 8: 65689

Released	2013-06-26
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	EDO, H3R, NO3

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4BDG \| pdb_00004bdg	Download File View File

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

Silva-Santisteban, M.C., Westwood, I.M., Boxall, K., Brown, N., Peacock, S., McAndrew, C., Barrie, E., Richards, M., Mirza, A., Oliver, A.W., Burke, R., Hoelder, S., Jones, K., Aherne, G.W., Blagg, J., Collins, I., Garrett, M.D., van Montfort, R.L.M.

(2013) PLoS One 8: 65689

Released	2013-06-26
Method	X-RAY DIFFRACTION 2.84 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE CHK2 (protein)
Unique Ligands	CL, EDO, NO3, P3J

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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

1A3A | pdb_00001a3a

1GME | pdb_00001gme

1IIB | pdb_00001iib

1OES | pdb_00001oes

1OET | pdb_00001oet

1OEU | pdb_00001oeu

1OEV | pdb_00001oev

1OKI | pdb_00001oki

2C8W | pdb_00002c8w

2C8X | pdb_00002c8x

2C8Y | pdb_00002c8y

2C8Z | pdb_00002c8z

2C90 | pdb_00002c90

2C93 | pdb_00002c93

4A9R | pdb_00004a9r

4A9S | pdb_00004a9s

4A9T | pdb_00004a9t

4A9U | pdb_00004a9u

4BDA | pdb_00004bda

4BDB | pdb_00004bdb

4BDC | pdb_00004bdc

4BDD | pdb_00004bdd

4BDE | pdb_00004bde

4BDF | pdb_00004bdf

4BDG | pdb_00004bdg