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235,458 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Structure Keywords HAS EXACT PHRASE "OXIDOREDUCTASE/INHIBITOR"

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Search Summary

This query matches 1,470 Structures.

Refinements

Structure Determination Methodology

experimental (1,470)

Scientific Name of Source Organism

	Homo sapiens (686)
	Rattus norvegicus (145)
	Trypanosoma cruzi strain CL Brener (52)
	Escherichia coli K-12 (49)
	Mycobacterium tuberculosis H37Rv (44)
	Bos taurus (41)
	Staphylococcus aureus (29)
	Mus musculus (23)
	Mycobacterium tuberculosis (23)
	Plasmodium falciparum 3D7 (20)

More...

Taxonomy

	Eukaryota (1,160)
	Bacteria (310)
	Duplodnaviria (3)
	Archaea (1)

Experimental Method

	X-RAY DIFFRACTION (1,464)
	ELECTRON MICROSCOPY (4)
	SOLUTION NMR (2)

Polymer Entity Type

Protein (1,470)

Refinement Resolution (Å)

	0.5 - 1.0 (7)
	1.0 - 1.5 (101)
	1.5 - 2.0 (545)
	2.0 - 2.5 (510)
	2.5 - 3.0 (229)
	3.0 - 3.5 (66)
	3.5 - 4.0 (10)

Release Date

	2000 - 2004 (3)
	2005 - 2009 (3)
	2010 - 2014 (569)
	2015 - 2019 (492)
	2020 - 2024 (346)
	2025 - 2029 (57)

Enzyme Classification Name

	Oxidoreductases (1,401)
	Hydrolases (13)
	Transferases (8)
	Translocases (4)
	Lyases (2)

Membrane Protein Annotation

	PDBTM (61)
	MemProtMD (53)
	OPM (36)
	mpstruc (11)

Symmetry Type

	Asymmetric (675)
	Cyclic (710)
	Dihedral (149)
	Helical (1)

SCOP Classification

	Alpha and beta proteins (a/b) (517)
	Alpha and beta proteins (a+b) (336)
	Artifacts (159)
	All alpha proteins (141)
	All beta proteins (68)
	Membrane and cell surface proteins and peptides (14)
	Small proteins (4)
	Multi-domain proteins (alpha and beta) (3)
	Designed proteins (1)

AllSelected

1 to 25 of 1,470 Structures

Page 1 of 59

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1FOZ \| pdb_00001foz	Download File View File

STRUCTURE OF CYCLIC PEPTIDE INHIBITORS OF MAMMALIAN RIBONUCLEOTIDE REDUCTASE

Pellegrini, M., Liehr, S., Fisher, A.L., Cooperman, B.S., Mierke, D.F.

(2000) Biochemistry 39: 12210-12215

Released	2000-11-22
Method	SOLUTION NMR
Macromolecule	SYNTHETIC CYCLIC PEPTIDE (protein)

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2F1O \| pdb_00002f1o	Download File View File

Crystal Structure of NQO1 with Dicoumarol

Shaul, Y., Asher, G., Dym, O., Tsvetkov, P., Adler, J., Israel Structural Proteomics Center (ISPC)

(2006) Biochemistry 45: 6372-6378

Released	2006-05-16
Method	X-RAY DIFFRACTION 2.75 Å
Organisms	Homo sapiens
Macromolecule	NAD(P)H dehydrogenase [quinone] 1 (protein)
Unique Ligands	DTC, FAD

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3KJM \| pdb_00003kjm	Download File View File

Leu492Ala mutant of Maize cytokinin oxidase/dehydrogenase complexed with phenylurea inhibitor CPPU

Kopecny, D., Briozzo, P.

(2010) Biochimie 92: 1052-1062

Released	2010-05-26
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Zea mays
Macromolecule	Cytokinin dehydrogenase 1 (protein)
Unique Ligands	245, FAD, GOL, NAG
Unique branched monosaccharides	NAG

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3OAF \| pdb_00003oaf	Download File View File

Structural and Kinetic Data for Antifolate Interactions Against Pneumocystis jirovecii, Pneumocystis carinii and Human Dihydrofolate Reductase and Thier Active Site Mutants

Cody, V.

(2013) Antimicrob Agents Chemother 57: 2669-2677

Released	2011-08-03
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Dihydrofolate reductase (protein)
Unique Ligands	OAG, SO4

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3PNE \| pdb_00003pne	Download File View File

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Li, H., Delker, S., Poulos, T.L.

(2011) J Med Chem 54: 6399-6403

Released	2011-11-02
Method	X-RAY DIFFRACTION 1.97 Å
Organisms	Rattus norvegicus
Macromolecule	Nitric oxide synthase, brain (protein)
Unique Ligands	8AX, ACT, H4B, HEM, ZN

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3PNF \| pdb_00003pnf	Download File View File

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Li, H., Delker, S., Poulos, T.L.

(2011) J Med Chem 54: 6399-6403

Released	2011-11-02
Method	X-RAY DIFFRACTION 1.94 Å
Organisms	Rattus norvegicus
Macromolecule	Nitric oxide synthase, brain (protein)
Unique Ligands	8BX, ACT, H4B, HEM, ZN

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3PNG \| pdb_00003png	Download File View File

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2-fluoro-2-(3-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Li, H., Delker, S., Poulos, T.L.

(2011) J Med Chem 54: 6399-6403

Released	2011-10-05
Method	X-RAY DIFFRACTION 1.88 Å
Organisms	Rattus norvegicus
Macromolecule	Nitric oxide synthase, brain (protein)
Unique Ligands	8CX, ACT, H4B, HEM, ZN

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3PNH \| pdb_00003pnh	Download File View File

Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in complex with 6-(((3R,4R)-4-(2-((2-FLUORO-2-(3-FLUOROPHENYL) ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE

Delker, S.L., Li, H., Poulos, T.L.

(2011) J Med Chem 54: 6399-6403

Released	2011-10-05
Method	X-RAY DIFFRACTION 1.93 Å
Organisms	Bos taurus
Macromolecule	Nitric oxide synthase, endothelial (protein)
Unique Ligands	8CX, ACT, CAD, GOL, H4B, HEM, ZN

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3RQJ \| pdb_00003rqj	Download File View File

Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R)-2-(3-Fluorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Li, H., Delker, S.L., Poulos, T.L.

(2013) Bioorg Med Chem 21: 1333-1343

Released	2012-05-02
Method	X-RAY DIFFRACTION 1.84 Å
Organisms	Rattus norvegicus
Macromolecule	Nitric oxide synthase, brain (protein)
Unique Ligands	ACT, H4B, HEM, Y2B, ZN

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3RQK \| pdb_00003rqk	Download File View File

Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer

Li, H., Delker, S.L., Poulos, T.L.

(2013) Bioorg Med Chem 21: 1333-1343

Released	2012-05-02
Method	X-RAY DIFFRACTION 2.21 Å
Organisms	Rattus norvegicus
Macromolecule	Nitric oxide synthase, brain (protein)
Unique Ligands	ACT, H4B, HEM, X2C, ZN

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3RQL \| pdb_00003rql	Download File View File

Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Li, H., Delker, S.L., Poulos, T.L.

(2013) Bioorg Med Chem 21: 1333-1343

Released	2012-05-02
Method	X-RAY DIFFRACTION 1.93 Å
Organisms	Rattus norvegicus
Macromolecule	Nitric oxide synthase, brain (protein)
Unique Ligands	ACT, H4B, HEM, X2D, ZN

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3RQM \| pdb_00003rqm	Download File View File

Structure of the neuronal nitric oxide synthase heme domain in complex with 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

Li, H., Delker, S.L., Poulos, T.L.

(2013) Bioorg Med Chem 21: 1333-1343

Released	2012-05-02
Method	X-RAY DIFFRACTION 1.95 Å
Organisms	Rattus norvegicus
Macromolecule	Nitric oxide synthase, brain (protein)
Unique Ligands	ACT, H4B, HEM, X2E, ZN

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3RQN \| pdb_00003rqn	Download File View File

Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-(((S )-1-(3-fluorophenyl)propan-2-yl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Li, H., Delker, S.L., Poulos, T.L.

(2013) Bioorg Med Chem 21: 1333-1343

Released	2012-05-02
Method	X-RAY DIFFRACTION 1.95 Å
Organisms	Rattus norvegicus
Macromolecule	Nitric oxide synthase, brain (protein)
Unique Ligands	ACT, H4B, HEM, Y2F, ZN

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3RQO \| pdb_00003rqo	Download File View File

Structure of the endothelial nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Li, H., Delker, S.L., Poulos, T.L.

(2013) Bioorg Med Chem 21: 1333-1343

Released	2012-05-02
Method	X-RAY DIFFRACTION 2.08 Å
Organisms	Bos taurus
Macromolecule	Nitric oxide synthase, endothelial (protein)
Unique Ligands	ACT, CAD, GOL, H4B, HEM, X2D, ZN

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3RQP \| pdb_00003rqp	Download File View File

Structure of the endothelial nitric oxide synthase heme domain in complex with 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

Li, H., Delker, S.L., Poulos, T.L.

(2013) Bioorg Med Chem 21: 1333-1343

Released	2012-05-02
Method	X-RAY DIFFRACTION 2.35 Å
Organisms	Bos taurus
Macromolecule	Nitric oxide synthase, endothelial (protein)
Unique Ligands	ACT, CAD, GOL, H4B, HEM, X2E, ZN

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3UXE \| pdb_00003uxe	Download File View File

Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2

Reddy, N.P., Jensen, K.C., Mesecar, A.D., Fanwick, P.E., Cushman, M.

(2012) J Med Chem 55: 367-377

Released	2012-01-18
Method	X-RAY DIFFRACTION 1.5 Å
Organisms	Homo sapiens
Macromolecule	Ribosyldihydronicotinamide dehydrogenase [quinone] (protein)
Unique Ligands	465, FAD, GOL, ZN

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3UXH \| pdb_00003uxh	Download File View File

Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of Quinone Reductase 2

Cushman, M., Mesecar, A.D., Fanwick, P.E., Narasimha, R., Jensen, K.C.

(2012) J Med Chem 55: 367-377

Released	2012-01-18
Method	X-RAY DIFFRACTION 1.53 Å
Organisms	Homo sapiens
Macromolecule	Ribosyldihydronicotinamide dehydrogenase [quinone] (protein)
Unique Ligands	FAD, UXH, ZN

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4AJ1 \| pdb_00004aj1	Download File View File

rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide

Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G.

(2012) J Med Chem 55: 3285

Released	2012-03-21
Method	X-RAY DIFFRACTION 1.87 Å
Organisms	Rattus norvegicus
Macromolecule	L-LACTATE DEHYDROGENASE A CHAIN (protein)
Unique Ligands	AJ1, GOL, MLI, OXM

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4AJ2 \| pdb_00004aj2	Download File View File

rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole

Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Frazer, M.

(2012) J Med Chem 55: 3285

Released	2012-03-21
Method	X-RAY DIFFRACTION 1.75 Å
Organisms	Rattus norvegicus
Macromolecule	L-LACTATE DEHYDROGENASE A CHAIN (protein)
Unique Ligands	52C, GOL, MLI

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4AJ4 \| pdb_00004aj4	Download File View File

rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid

Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G.

(2012) J Med Chem 55: 3285

Released	2012-03-21
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Rattus norvegicus
Macromolecule	L-LACTATE DEHYDROGENASE A CHAIN (protein)
Unique Ligands	MLI, VAB

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4AJE \| pdb_00004aje	Download File View File

rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid

Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Pearson, S.

(2012) J Med Chem 55: 3285

Released	2012-03-21
Method	X-RAY DIFFRACTION 2.35 Å
Organisms	Rattus norvegicus
Macromolecule	L-LACTATE DEHYDROGENASE A CHAIN (protein)
Unique Ligands	2B4, GOL, MLI

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4AJH \| pdb_00004ajh	Download File View File

rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid

Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Greenwood, R., Pearson, S., Debreczeni, J.

(2012) J Med Chem 55: 3285

Released	2012-03-21
Method	X-RAY DIFFRACTION 1.93 Å
Organisms	Rattus norvegicus
Macromolecule	L-LACTATE DEHYDROGENASE A CHAIN (protein)
Unique Ligands	2B4, 88S, GOL, MLI

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4AJI \| pdb_00004aji	Download File View File

rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid

Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Debreczeni, J.

(2012) J Med Chem 55: 3285

Released	2012-03-21
Method	X-RAY DIFFRACTION 1.93 Å
Organisms	Rattus norvegicus
Macromolecule	L-LACTATE DEHYDROGENASE A CHAIN (protein)
Unique Ligands	88R

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4AJJ \| pdb_00004ajj	Download File View File

rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide

Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Patel, J., Greenwood, R.

(2012) J Med Chem 55: 3285

Released	2012-03-21
Method	X-RAY DIFFRACTION 1.75 Å
Organisms	Rattus norvegicus
Macromolecule	L-LACTATE DEHYDROGENASE A CHAIN (protein)
Unique Ligands	88R, 88S, DMS, GOL, MLI

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4AJK \| pdb_00004ajk	Download File View File

rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide

Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Greenwood, R.

(2012) J Med Chem 55: 3285

Released	2012-03-21
Method	X-RAY DIFFRACTION 2.03 Å
Organisms	Rattus norvegicus
Macromolecule	L-LACTATE DEHYDROGENASE A CHAIN (protein)
Unique Ligands	88S, GOL, MLI

1 to 25 of 1,470 Structures

Page 1 of 59

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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

1FOZ | pdb_00001foz

2F1O | pdb_00002f1o

3KJM | pdb_00003kjm

3OAF | pdb_00003oaf

3PNE | pdb_00003pne

3PNF | pdb_00003pnf

3PNG | pdb_00003png

3PNH | pdb_00003pnh

3RQJ | pdb_00003rqj

3RQK | pdb_00003rqk

3RQL | pdb_00003rql

3RQM | pdb_00003rqm

3RQN | pdb_00003rqn

3RQO | pdb_00003rqo

3RQP | pdb_00003rqp

3UXE | pdb_00003uxe

3UXH | pdb_00003uxh

4AJ1 | pdb_00004aj1

4AJ2 | pdb_00004aj2

4AJ4 | pdb_00004aj4

4AJE | pdb_00004aje

4AJH | pdb_00004ajh

4AJI | pdb_00004aji

4AJJ | pdb_00004ajj

4AJK | pdb_00004ajk