RCSB PDB: Search

2OF0 \| pdb_00002of0	Download File View File

X-ray crystal structure of beta secretase complexed with compound 5

Patel, S.

(2007) J Med Chem 50: 1116-1123

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.25 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	CMZ, DMS, IOD

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2OHK \| pdb_00002ohk	Download File View File

X-ray crystal structure of beta secretase complexed with 1-amino-isoquinoline

Patel, S.

(2007) J Med Chem 50: 1116-1123

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	1SQ, DMS, IOD

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2OHL \| pdb_00002ohl	Download File View File

X-ray crystal structure of beta secretase complexed with 2-aminoquinoline

Patel, S.

(2007) J Med Chem 50: 1116-1123

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.65 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	2AQ, DMS, IOD

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2OHM \| pdb_00002ohm	Download File View File

X-ray crystal structure of beta secretase complexed with N~3~-benzylpyridine-2,3-diamine

Patel, S.

(2007) J Med Chem 50: 1116-1123

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	8AP, DMS, IOD

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2OHN \| pdb_00002ohn	Download File View File

X-ray crystal structure of beta secretase complexed with 4-(4-fluorobenzyl)piperidine

Patel, S.

(2007) J Med Chem 50: 1116-1123

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.15 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	4FP, DMS, IOD

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2OHP \| pdb_00002ohp	Download File View File

X-ray crystal structure of beta secretase complexed with compound 3

Patel, S.

(2007) J Med Chem 50: 1124-1132

Released	2007-05-01
Method	X-RAY DIFFRACTION 2.25 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	6IP, DMS, IOD

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2OHQ \| pdb_00002ohq	Download File View File

X-ray crystal structure of beta secretase complexed with compound 4

Patel, S.

(2007) J Med Chem 50: 1124-1132

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	7IP, DMS, GOL, IOD

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2OHR \| pdb_00002ohr	Download File View File

X-ray crystal structure of beta secretase complexed with compound 6a

Patel, S.

(2007) J Med Chem 50: 1124-1132

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.25 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	8IP, DMS, GOL, IOD

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2OHS \| pdb_00002ohs	Download File View File

X-ray crystal structure of beta secretase complexed with compound 6b

Patel, S.

(2007) J Med Chem 50: 1124-1132

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.45 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	9IP, DMS, IOD

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2OHT \| pdb_00002oht	Download File View File

X-ray crystal structure of beta secretase complexed with compound 7

Patel, S.

(2007) J Med Chem 50: 1124-1132

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	DMS, IOD, IP6

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2OHU \| pdb_00002ohu	Download File View File

X-ray crystal structure of beta secretase complexed with compound 8b

Patel, S.

(2007) J Med Chem 50: 1124-1132

Released	2007-03-13
Method	X-RAY DIFFRACTION 2.35 Å
Organisms	Homo sapiens
Macromolecule	Beta-secretase 1 (protein)
Unique Ligands	DMS, IOD, IP7

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2VIN \| pdb_00002vin	Download File View File

Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.

(2008) J Med Chem 51: 183

Released	2008-01-22
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Homo sapiens
Macromolecule	UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B (protein)
Unique Ligands	505, ACT, SO4

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2VIO \| pdb_00002vio	Download File View File

Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.

(2008) J Med Chem 51: 183

Released	2008-01-22
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Homo sapiens
Macromolecule	UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B (protein)
Unique Ligands	ACT, L1O

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2VIP \| pdb_00002vip	Download File View File

Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.

(2008) J Med Chem 51: 183

Released	2008-01-22
Method	X-RAY DIFFRACTION 1.72 Å
Organisms	Homo sapiens
Macromolecule	UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B (protein)
Unique Ligands	ACT, L1R, SO4

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2VIQ \| pdb_00002viq	Download File View File

Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.

(2008) J Med Chem 51: 183

Released	2008-01-22
Method	X-RAY DIFFRACTION 2 Å
Organisms	Homo sapiens
Macromolecule	UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B (protein)
Unique Ligands	ACT, D55

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2VIV \| pdb_00002viv	Download File View File

Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.

(2008) J Med Chem 51: 183

Released	2008-01-22
Method	X-RAY DIFFRACTION 1.72 Å
Organisms	Homo sapiens
Macromolecule	UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B (protein)
Unique Ligands	ACT, VG2

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2VIW \| pdb_00002viw	Download File View File

Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.

(2008) J Med Chem 51: 183

Released	2008-01-22
Method	X-RAY DIFFRACTION 2.05 Å
Organisms	Homo sapiens
Macromolecule	UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B (protein)
Unique Ligands	ACT, D56

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2XAB \| pdb_00002xab	Download File View File

Structure of HSP90 with an inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, m., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., O'Brian, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5956

Released	2010-08-11
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA, (protein)
Unique Ligands	VHD

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2XDK \| pdb_00002xdk	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.97 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	XDK

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2XDL \| pdb_00002xdl	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.98 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	2DL

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2XDS \| pdb_00002xds	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.97 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	DMS, MT0

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2XDU \| pdb_00002xdu	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.74 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	DMS, LGA, MG, MT0