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234,440 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Structure Keywords HAS EXACT PHRASE "oxidoreductase/oxidoreductase inhibitor"

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Search Summary

This query matches 80 Structures.

Refinements

Structure Determination Methodology

experimental (80)

Scientific Name of Source Organism

	Homo sapiens (51)
	Severe acute respiratory syndrome coronavirus 2 (9)
	Human adenovirus D8 (5)
	Pseudomonas aeruginosa LESB58 (5)
	Escherichia coli (4)
	Drosophila melanogaster (3)
	Human adenovirus 2 (2)
	Bos taurus (1)
	Mus musculus (1)
	synthetic construct (1)

Taxonomy

	Eukaryota (56)
	Bacteria (9)
	Riboviria (9)
	Varidnaviria (7)
	other sequences (1)

Experimental Method

X-RAY DIFFRACTION (80)

Polymer Entity Type

Protein (80)

Refinement Resolution (Å)

	1.0 - 1.5 (29)
	1.5 - 2.0 (24)
	2.0 - 2.5 (18)
	2.5 - 3.0 (8)
	3.0 - 3.5 (1)

Release Date

	2000 - 2004 (5)
	2005 - 2009 (3)
	2010 - 2014 (4)
	2015 - 2019 (28)
	2020 - 2024 (15)
	2025 - 2029 (25)

Enzyme Classification Name

	Hydrolases (46)
	Oxidoreductases (16)

Membrane Protein Annotation

	OPM (1)
	mpstruc (1)

Symmetry Type

	Asymmetric (56)
	Cyclic (18)
	Dihedral (7)

SCOP Classification

	All beta proteins (17)
	Artifacts (8)
	Alpha and beta proteins (a/b) (6)
	Alpha and beta proteins (a+b) (6)
	All alpha proteins (3)

AllSelected

1 to 25 of 80 Structures

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1DLK \| pdb_00001dlk	Download File View File

CRYSTAL STRUCTURE ANALYSIS OF DELTA-CHYMOTRYPSIN BOUND TO A PEPTIDYL CHLOROMETHYL KETONE INHIBITOR

Mac Sweeney, A., Birrane, G., Walsh, M.A., O'Connell, T., Malthouse, J.P.G.

(2000) Acta Crystallogr D Biol Crystallogr 56: 280-286

Released	2000-05-03
Method	X-RAY DIFFRACTION 2.14 Å
Organisms	Bos taurus
Macromolecule	Thrombin heavy chain (protein) Thrombin light chain (protein) peptidic inhibitor (protein)
Unique Ligands	CL

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1PFQ \| pdb_00001pfq	Download File View File

crystal structure of human apo dipeptidyl peptidase IV / CD26

Oefner, C., D'Arcy, A., Mac Sweeney, A., Pierau, S., Gardiner, R., Dale, G.E.

(2003) Acta Crystallogr D Biol Crystallogr 59: 1206-1212

Released	2003-07-01
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Homo sapiens
Macromolecule	Dipeptidyl peptidase IV soluble form (protein)
Unique Ligands	NAG

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1Q0H \| pdb_00001q0h	Download File View File

Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin

Mac Sweeney, A., Lange, R., D'Arcy, A., Douangamath, A., Surivet, J.-P., Oefner, C.

(2005) J Mol Biology 345: 115-127

Released	2004-07-20
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Escherichia coli
Macromolecule	1-deoxy-D-xylulose 5-phosphate reductoisomerase (protein)
Unique Ligands	CIT, FOM, NDP

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1Q0L \| pdb_00001q0l	Download File View File

Crystal structure of DXR in complex with fosmidomycin

Mac Sweeney, A., Lange, R., D'Arcy, A., Douangamath, A., Surivet, J.-P., Oefner, C.

(2005) J Mol Biology 345: 115-127

Released	2004-07-20
Method	X-RAY DIFFRACTION 2.65 Å
Organisms	Escherichia coli
Macromolecule	1-deoxy-D-xylulose 5-phosphate reductoisomerase (protein)
Unique Ligands	FOM, NDP

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1Q0Q \| pdb_00001q0q	Download File View File

Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate

Mac Sweeney, A., Lange, R., D'Arcy, A., Douangamath, A., Surivet, J.-P., Oefner, C.

(2005) J Mol Biology 345: 115-127

Released	2004-07-20
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Escherichia coli
Macromolecule	1-deoxy-D-xylulose 5-phosphate reductoisomerase (protein)
Unique Ligands	DXP, NDP

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3EDG \| pdb_00003edg	Download File View File

Crystal structure of bone morphogenetic protein 1 protease domain

Mac Sweeney, A.

To be published

Released	2008-09-16
Method	X-RAY DIFFRACTION 1.27 Å
Organisms	Homo sapiens
Macromolecule	Bone morphogenetic protein 1 (protein)
Unique Ligands	ACE, ZN

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3EDH \| pdb_00003edh	Download File View File

Crystal structure of bone morphogenetic protein 1 protease domain in complex with partially bound DMSO

Mac Sweeney, A.

To be published

Released	2008-09-16
Method	X-RAY DIFFRACTION 1.25 Å
Organisms	Homo sapiens
Macromolecule	Bone morphogenetic protein 1 (protein)
Unique Ligands	ACE, DMS, ZN

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3EDI \| pdb_00003edi	Download File View File

Crystal structure of tolloid-like protease 1 (TLL-1) protease domain

Mac Sweeney, A.

To be published

Released	2008-09-16
Method	X-RAY DIFFRACTION 1.4 Å
Organisms	Homo sapiens
Macromolecule	Tolloid-like protein 1 (protein)
Unique Ligands	ACE, DMS, SO4, ZN

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4PID \| pdb_00004pid	Download File View File

Crystal structure of human adenovirus 2 protease with a weak pyrimidine nitrile inhibitor

Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, K., Erbel, P., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramage, P., Jarousse, N., Altmann, E.

(2014) ACS Med Chem Lett 5: 937-941

Released	2014-09-10
Method	X-RAY DIFFRACTION 1.59 Å
Organisms	Human adenovirus 2
Macromolecule	Pre-protein VI (protein) Protease (protein)
Unique Ligands	2UQ, ACT

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4PIE \| pdb_00004pie	Download File View File

Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor

Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, C., Erbel, C., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramage, P., Jarousse, N., Altmann, E.

(2014) ACS Med Chem Lett 5: 937-941

Released	2014-09-10
Method	X-RAY DIFFRACTION 1.94 Å
Organisms	Human adenovirus 2
Macromolecule	Pre-protein VI (protein) Protease (protein)
Unique Ligands	3FO, ACT, SO4, ZN

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4PIQ \| pdb_00004piq	Download File View File

Crystal structure of human adenovirus 8 protease with a nitrile inhibitor

Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, K., Erbel, P., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramage, P., Jarousse, N., Altmann, E.

(2014) ACS Med Chem Lett 5: 937-941

Released	2014-09-10
Method	X-RAY DIFFRACTION 2.07 Å
Organisms	Human adenovirus D8
Macromolecule	PVI (protein) Protease (protein)
Unique Ligands	3FS

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4PIS \| pdb_00004pis	Download File View File

Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor

Mac Sweeney, A., Grosche, P., Ellis, D., Combrink, K., Erbel, P., Hughes, N., Sirockin, F., Melkko, S., Bernardi, A., Ramage, P., Jarousse, N., Altmann, E.

(2014) ACS Med Chem Lett 5: 937-941

Released	2014-09-10
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Human adenovirus D8
Macromolecule	PVI (protein) Protease (protein)
Unique Ligands	3FU

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4WX4 \| pdb_00004wx4	Download File View File

Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor

Grosche, P., Sirockin, F., Mac Sweeney, A., Ramage, P., Erbel, P., Melkko, S., Bernardi, A., Hughes, N., Ellis, D., Combrink, K., Jarousse, N., Altmann, E.

(2015) Bioorg Med Chem Lett 25: 438-443

Released	2015-01-14
Method	X-RAY DIFFRACTION 1.03 Å
Organisms	Human adenovirus D8 synthetic construct
Macromolecule	Protease (protein) peptide (protein)
Unique Ligands	3VF, EPE, GLY

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4WX6 \| pdb_00004wx6	Download File View File

Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor

Grosche, P., Sirockin, F., Mac Sweeney, A., Ramage, P., Erbel, P., Melkko, S., Bernardi, A., Hughes, N., Ellis, D., Combrink, K., Jarousse, N., Altmann, E.

(2015) Bioorg Med Chem Lett 25: 438-443

Released	2015-01-14
Method	X-RAY DIFFRACTION 2.15 Å
Organisms	Human adenovirus D8
Macromolecule	PVI (protein) Protease (protein)
Unique Ligands	3VK

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4WX7 \| pdb_00004wx7	Download File View File

Crystal structure of adenovirus 8 protease with a nitrile inhibitor

Grosche, P., Sirockin, F., Mac Sweeney, A., Ramage, P., Erbel, P., Melkko, S., Bernardi, A., Hughes, N., Ellis, D., Combrink, K., Jarousse, N., Altmann, E.

(2015) Bioorg Med Chem Lett 25: 438-443

Released	2015-01-14
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Human adenovirus D8
Macromolecule	PVI (protein) Protease (protein)
Unique Ligands	3VJ

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5FCK \| pdb_00005fck	Download File View File

COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5

Mac Sweeney, A.

(2016) Nat Chem Biol 12: 1105-1110

Released	2016-10-26
Method	X-RAY DIFFRACTION 1.86 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	5WC, SO4

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5FCR \| pdb_00005fcr	Download File View File

MOUSE COMPLEMENT FACTOR D

Mac Sweeney, A.

(2016) Nat Chem Biol 12: 1105-1110

Released	2016-10-26
Method	X-RAY DIFFRACTION 1.25 Å
Organisms	Mus musculus
Macromolecule	Complement factor D (protein)
Unique Ligands	DMS, EPE, GOL, SO4

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5MT0 \| pdb_00005mt0	Download File View File

COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR

Mac Sweeney, A., Ostermann, N.

(2017) J Med Chem 60: 1946-1958

Released	2017-02-15
Method	X-RAY DIFFRACTION 1.29 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	QJS, SO4

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5MT4 \| pdb_00005mt4	Download File View File

COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR

Mac Sweeney, A., Ostermann, N.

(2017) J Med Chem 60: 1946-1958

Released	2017-02-15
Method	X-RAY DIFFRACTION 1.65 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	M7O

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5NAR \| pdb_00005nar	Download File View File

Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]

Mac Sweeney, A., Ostermann, N.

(2017) J Med Chem 60: 5717-5735

Released	2017-06-28
Method	X-RAY DIFFRACTION 1.55 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	8RW, SO4

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5NAT \| pdb_00005nat	Download File View File

Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]

Mac Sweeney, A., Ostermann, N.

(2017) J Med Chem 60: 5717-5735

Released	2018-03-21
Method	X-RAY DIFFRACTION 1.17 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	8RT, GOL

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5NAW \| pdb_00005naw	Download File View File

Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide]

Mac Sweeney, A., Ostermann, N.

(2017) J Med Chem 60: 5717-5735

Released	2017-06-28
Method	X-RAY DIFFRACTION 1.25 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	8RZ

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5NB6 \| pdb_00005nb6	Download File View File

Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]

Mac Sweeney, A., Ostermann, N.

(2017) J Med Chem 60: 5717-5735

Released	2017-06-28
Method	X-RAY DIFFRACTION 1.75 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	8S2

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5NB7 \| pdb_00005nb7	Download File View File

Complement factor D

Mac Sweeney, A., Ostermann, N.

(2017) J Med Chem 60: 5717-5735

Released	2017-06-28
Method	X-RAY DIFFRACTION 1.33 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	8NQ, DMS

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5NBA \| pdb_00005nba	Download File View File

Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]

Mac Sweeney, A., Ostermann, N.

(2017) J Med Chem 60: 5717-5735

Released	2017-06-28
Method	X-RAY DIFFRACTION 1.87 Å
Organisms	Homo sapiens
Macromolecule	Complement factor D (protein)
Unique Ligands	8S5

1 to 25 of 80 Structures

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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

Membrane Protein Annotation

Symmetry Type

SCOP Classification

1DLK | pdb_00001dlk

1PFQ | pdb_00001pfq

1Q0H | pdb_00001q0h

1Q0L | pdb_00001q0l

1Q0Q | pdb_00001q0q

3EDG | pdb_00003edg

3EDH | pdb_00003edh

3EDI | pdb_00003edi

4PID | pdb_00004pid

4PIE | pdb_00004pie

4PIQ | pdb_00004piq

4PIS | pdb_00004pis

4WX4 | pdb_00004wx4

4WX6 | pdb_00004wx6

4WX7 | pdb_00004wx7

5FCK | pdb_00005fck

5FCR | pdb_00005fcr

5MT0 | pdb_00005mt0

5MT4 | pdb_00005mt4

5NAR | pdb_00005nar

5NAT | pdb_00005nat

5NAW | pdb_00005naw

5NB6 | pdb_00005nb6

5NB7 | pdb_00005nb7

5NBA | pdb_00005nba