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233,605 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Structure Author = "Mesecar, A.D."

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Search Summary

This query matches 78 Structures.

Refinements

Structure Determination Methodology

experimental (78)

Scientific Name of Source Organism

	Homo sapiens (31)
	Mycobacterium tuberculosis (7)
	Severe acute respiratory syndrome-related coronavirus (7)
	Escherichia coli (6)
	Bacillus anthracis (5)
	Severe acute respiratory syndrome coronavirus 2 (4)
	Middle East respiratory syndrome-related coronavirus (3)
	Porcine epidemic diarrhea virus (3)
	Pseudomonas pavonaceae (3)
	Murine hepatitis virus strain A59 (2)

More...

Taxonomy

	Eukaryota (34)
	Bacteria (24)
	Riboviria (23)
	other sequences (1)

Experimental Method

X-RAY DIFFRACTION (78)

Polymer Entity Type

Protein (78)

Refinement Resolution (Å)

	1.0 - 1.5 (4)
	1.5 - 2.0 (41)
	2.0 - 2.5 (25)
	2.5 - 3.0 (7)
	3.0 - 3.5 (1)

Release Date

	2000 - 2004 (4)
	2005 - 2009 (27)
	2010 - 2014 (22)
	2015 - 2019 (13)
	2020 - 2024 (12)

Enzyme Classification Name

	Oxidoreductases (21)
	Hydrolases (25)
	Transferases (8)
	Isomerases (6)
	Lyases (5)

Symmetry Type

	Cyclic (48)
	Asymmetric (28)
	Dihedral (10)

SCOP Classification

	Alpha and beta proteins (a/b) (32)
	Alpha and beta proteins (a+b) (10)
	All beta proteins (10)
	Artifacts (5)

AllSelected

1 to 25 of 78 Structures

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1P8F \| pdb_00001p8f	Download File View File

A four location model to explain the stereospecificity of proteins.

Mesecar, A.D., Koshland Jr., D.E.

(2000) Nature 403: 614-615

Released	2003-05-20
Method	X-RAY DIFFRACTION 1.85 Å
Organisms	Escherichia coli
Macromolecule	Isocitrate dehydrogenase [NADP] (protein)
Unique Ligands	GOL, ICT, MG, SO4

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1PB1 \| pdb_00001pb1	Download File View File

A four location model to explain the stereospecificity of proteins.

Mesecar, A.D., Koshland Jr., D.E.

(2000) Nature 403: 614-615

Released	2003-06-17
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Escherichia coli
Macromolecule	Isocitrate dehydrogenase [NADP] (protein)
Unique Ligands	GOL, ICT, SO4

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1PB3 \| pdb_00001pb3	Download File View File

Sites of binding and orientation in a four location model for protein stereospecificity.

Mesecar, A.D., Koshland Jr., D.E.

(2000) IUBMB Life 49: 457-466

Released	2003-06-17
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Escherichia coli
Macromolecule	Isocitrate dehydrogenase [NADP] (protein)
Unique Ligands	GOL, SO4

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1QW7 \| pdb_00001qw7	Download File View File

Structure of an Engineered Organophosphorous Hydrolase with Increased Activity Toward Hydrolysis of Phosphothiolate Bonds

Mesecar, A.D., Grimsley, J.K., Holton, T., Wild, J.R.

(2005) Arch Biochem Biophys 442: 169-179

Released	2004-11-30
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Brevundimonas diminuta
Macromolecule	Parathion hydrolase (protein)
Unique Ligands	CO, EBP, NA

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1T5A \| pdb_00001t5a	Download File View File

Human Pyruvate Kinase M2

Dombrauckas, J.D., Santarsiero, B.D., Mesecar, A.D.

(2005) Biochemistry 44: 9417-9429

Released	2005-07-12
Method	X-RAY DIFFRACTION 2.8 Å
Organisms	Homo sapiens
Macromolecule	Pyruvate kinase, M2 isozyme (protein)
Unique Ligands	FBP, GOL, K, MG, OXL, PO4

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1TX8 \| pdb_00001tx8	Download File View File

Bovine Trypsin complexed with AMSO

Mesecar, A.D.

(2004) Bioorg Med Chem Lett 14: 5165-5170

Released	2005-10-18
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Bos taurus
Macromolecule	Trypsinogen (protein)
Unique Ligands	AM4, CA

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2ALV \| pdb_00002alv	Download File View File

X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors

Ghosh, A.K., Xi, K., Ratia, K., Santarsiero, B.D., Fu, W., Harcourt, B.H., Rota, P.A., Baker, S.C., Johnson, M.E., Mesecar, A.D.

(2005) J Med Chem 48: 6767-6771

Released	2006-08-08
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Severe acute respiratory syndrome-related coronavirus
Macromolecule	Replicase polyprotein 1ab (protein)
Unique Ligands	CY6

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2FE8 \| pdb_00002fe8	Download File View File

SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme

Ratia, K., Santarsiero, B.D., Mesecar, A.D.

(2006) Proc Natl Acad Sci U S A 103: 5717-5722

Released	2006-03-21
Method	X-RAY DIFFRACTION 1.85 Å
Organisms	Severe acute respiratory syndrome-related coronavirus
Macromolecule	Replicase polyprotein 1ab (protein)
Unique Ligands	BR, SO4, ZN

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2GZM \| pdb_00002gzm	Download File View File

Crystal Structure of the Glutamate Racemase from Bacillus anthracis

May, M., Santarsiero, B.D., Johnson, M.E., Mesecar, A.D.

(2007) J Mol Biology 371: 1219-1237

Released	2007-05-29
Method	X-RAY DIFFRACTION 1.99 Å
Organisms	Bacillus anthracis
Macromolecule	Glutamate racemase (protein)
Unique Ligands	DGL

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2ID7 \| pdb_00002id7	Download File View File

1.75 A Structure of T87I Phosphono-CheY

Halkides, C.J., Haas, R.M., McAdams, K.A., Casper, E.S., Santarsiero, B.D., Mesecar, A.D.

(2008) Arch Biochem Biophys 479: 105-113

Released	2007-09-25
Method	X-RAY DIFFRACTION 1.75 Å
Organisms	Escherichia coli
Macromolecule	Chemotaxis protein cheY (protein)

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2ID9 \| pdb_00002id9	Download File View File

1.85 A Structure of T87I/Y106W Phosphono-CheY

Halkides, C.J., Haas, R.M., McAdams, K.A., Casper, E.S., Santarsiero, B.D., Mesecar, A.D.

(2008) Arch Biochem Biophys 479: 105-113

Released	2007-09-25
Method	X-RAY DIFFRACTION 1.75 Å
Organisms	Escherichia coli
Macromolecule	Chemotaxis protein cheY (protein)

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2IDM \| pdb_00002idm	Download File View File

2.00 A Structure of T87I/Y106W Phosphono-CheY

Halkides, C.J., Haas, R.M., McAdams, K.A., Casper, E.S., Santarsiero, B.D., Mesecar, A.D.

(2008) Arch Biochem Biophys 479: 105-113

Released	2007-09-25
Method	X-RAY DIFFRACTION 2 Å
Organisms	Escherichia coli
Macromolecule	Chemotaxis protein cheY (protein)
Unique Ligands	ACT

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2QIO \| pdb_00002qio	Download File View File

X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with Triclosan

Klein, G.M., Santarsiero, B.D., Mesecar, A.D.

(2008) ChemMedChem 3: 1250-1268

Released	2008-07-08
Method	X-RAY DIFFRACTION 2.44 Å
Organisms	Bacillus anthracis
Macromolecule	Enoyl-(Acyl-carrier-protein) reductase (protein)
Unique Ligands	NAD, TCL

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2QTM \| pdb_00002qtm	Download File View File

Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase

Sershon, V.C., Santarsiero, B.D., Mesecar, A.D.

(2009) J Mol Biology 385: 867-888

Released	2008-07-15
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Bacillus anthracis
Macromolecule	Nicotinate (Nicotinamide) nucleotide adenylyltransferase (protein)
Unique Ligands	CO, GOL

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2QTN \| pdb_00002qtn	Download File View File

Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase

Sershon, V.C., Santarsiero, B.D., Mesecar, A.D.

(2009) J Mol Biology 385: 867-888

Released	2008-07-15
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Bacillus anthracis
Macromolecule	Nicotinate (Nicotinamide) nucleotide adenylyltransferase (protein)
Unique Ligands	GOL, MG, NCN

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2QTR \| pdb_00002qtr	Download File View File

Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase

Sershon, V.C., Santarsiero, B.D., Mesecar, A.D.

(2009) J Mol Biology 385: 867-888

Released	2008-07-15
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Bacillus anthracis
Macromolecule	Probable nicotinate-nucleotide adenylyltransferase (protein)
Unique Ligands	DND, SO4

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2QWX \| pdb_00002qwx	Download File View File

Crystal Structure of Quinone Reductase II

Calamini, B., Santarsiero, B.D., Boutin, J.A., Mesecar, A.D.

(2008) Biochem J 413: 81-91

Released	2008-04-29
Method	X-RAY DIFFRACTION 1.5 Å
Organisms	Homo sapiens
Macromolecule	Ribosyldihydronicotinamide dehydrogenase [quinone] (protein)
Unique Ligands	FAD, ML1, ZN

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2QX4 \| pdb_00002qx4	Download File View File

Crystal Structure of Quinone Reductase II

Calamini, B., Santarsiero, B.D., Boutin, J.A., Mesecar, A.D.

(2008) Biochem J 413: 81-91

Released	2008-09-09
Method	X-RAY DIFFRACTION 1.65 Å
Organisms	Homo sapiens
Macromolecule	Ribosyldihydronicotinamide dehydrogenase [quinone] (protein)
Unique Ligands	FAD, ML1, ZN

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2QX6 \| pdb_00002qx6	Download File View File

Crystal Structure of Quinone Reductase II

Calamini, B., Santarsiero, B.D., Boutin, J.A., Mesecar, A.D.

(2008) Biochem J 413: 81-91

Released	2008-09-09
Method	X-RAY DIFFRACTION 1.75 Å
Organisms	Homo sapiens
Macromolecule	Ribosyldihydronicotinamide dehydrogenase [quinone] (protein)
Unique Ligands	FAD, ML1, ZN

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2QX8 \| pdb_00002qx8	Download File View File

Crystal Structure of Quinone Reductase II

Calamini, B., Santarsiero, B.D., Boutin, J.A., Mesecar, A.D.

(2008) Biochem J 413: 81-91

Released	2008-09-02
Method	X-RAY DIFFRACTION 1.6 Å
Organisms	Homo sapiens
Macromolecule	Ribosyldihydronicotinamide dehydrogenase [quinone] (protein)
Unique Ligands	CL, FAD, GOL, ML2, ZN

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2QX9 \| pdb_00002qx9	Download File View File

Crystal Structure of Quinone Reductase II

Calamini, B., Santarsiero, B.D., Boutin, J.A., Mesecar, A.D.

(2008) Biochem J 413: 81-91

Released	2008-09-02
Method	X-RAY DIFFRACTION 2.31 Å
Organisms	Homo sapiens
Macromolecule	Ribosyldihydronicotinamide dehydrogenase [quinone] (protein)
Unique Ligands	FAD, ML2, ZN

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2ZC1 \| pdb_00002zc1	Download File View File

Organophosphorus Hydrolase from Deinococcus radiodurans

Larsen, S.D., Hawwa, R., Ratia, K., Santarsiero, B.D., Mesecar, A.D.

To be published

Released	2008-11-25
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Deinococcus radiodurans
Macromolecule	Phosphotriesterase (protein)
Unique Ligands	BR, CO

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3E9S \| pdb_00003e9s	Download File View File

A new class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication

Mesecar, A.D., Ratia, K., Pegan, S.

To be published

Released	2008-10-07
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Severe acute respiratory syndrome-related coronavirus
Macromolecule	Non-structural protein 3 (protein)
Unique Ligands	CL, TTT, ZN

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3EJ3 \| pdb_00003ej3	Download File View File

Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity

Pegan, S., Serrano, H., Whitman, C.P., Mesecar, A.D.

(2008) Acta Crystallogr D Biol Crystallogr 64: 1277-1282

Released	2008-12-02
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Pseudomonas pavonaceae
Macromolecule	Alpha-subunit of trans-3-chloroacrylic acid dehalogenase (protein) Beta-subunit of trans-3-chloroacrylic acid dehalogenase (protein)
Unique Ligands	ACT, PO4

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3EJ7 \| pdb_00003ej7	Download File View File

Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity

Pegan, S., Serrano, H., Whitman, C.P., Mesecar, A.D.

(2008) Acta Crystallogr D Biol Crystallogr 64: 1277-1282

Released	2008-12-02
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Pseudomonas pavonaceae
Macromolecule	Alpha-subunit of trans-3-chloroacrylic acid dehalogenase (protein) Beta-subunit of trans-3-chloroacrylic acid dehalogenase (protein)
Unique Ligands	SO4

1 to 25 of 78 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

Symmetry Type

SCOP Classification

1P8F | pdb_00001p8f

1PB1 | pdb_00001pb1

1PB3 | pdb_00001pb3

1QW7 | pdb_00001qw7

1T5A | pdb_00001t5a

1TX8 | pdb_00001tx8

2ALV | pdb_00002alv

2FE8 | pdb_00002fe8

2GZM | pdb_00002gzm

2ID7 | pdb_00002id7

2ID9 | pdb_00002id9

2IDM | pdb_00002idm

2QIO | pdb_00002qio

2QTM | pdb_00002qtm

2QTN | pdb_00002qtn

2QTR | pdb_00002qtr

2QWX | pdb_00002qwx

2QX4 | pdb_00002qx4

2QX6 | pdb_00002qx6

2QX8 | pdb_00002qx8

2QX9 | pdb_00002qx9

2ZC1 | pdb_00002zc1

3E9S | pdb_00003e9s

3EJ3 | pdb_00003ej3

3EJ7 | pdb_00003ej7