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234,136 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Citation Author = "Gratteri, P."

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Search Summary

This query matches 54 Structures.

Refinements

Structure Determination Methodology

experimental (54)

Scientific Name of Source Organism

	Homo sapiens (45)
	synthetic construct (2)
	Escherichia coli K-12 (1)

Taxonomy

	Eukaryota (45)
	other sequences (2)
	Bacteria (1)

Experimental Method

	X-RAY DIFFRACTION (53)
	SOLUTION NMR (1)

Polymer Entity Type

	Protein (37)
	DNA (17)

Refinement Resolution (Å)

	1.0 - 1.5 (17)
	1.5 - 2.0 (22)
	2.0 - 2.5 (12)
	2.5 - 3.0 (2)

Release Date

	2005 - 2009 (2)
	2010 - 2014 (6)
	2015 - 2019 (27)
	2020 - 2024 (19)

Enzyme Classification Name

	Lyases (33)
	Hydrolases (4)

Symmetry Type

	Asymmetric (36)
	Cyclic (1)

SCOP Classification

	All beta proteins (28)
	All alpha proteins (1)
	Alpha and beta proteins (a+b) (2)
	Alpha and beta proteins (a/b) (1)
	Artifacts (1)

AllSelected

1 to 25 of 54 Structures

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Explore in 3D

2JJB \| pdb_00002jjb	Download File View File

Family 37 trehalase from Escherichia coli in complex with casuarine-6- O-alpha-glucopyranose

Gloster, T.M., Roberts, S., Davies, G.J., Cardona, F., Parmeggiani, C., Bonaccini, C., Gratteri, P., Sim, L., Rose, D.R., Goti, A.

(2009) Chemistry 15: 1627

Released	2009-01-13
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Escherichia coli K-12
Macromolecule	PERIPLASMIC TREHALASE (protein)
Unique Ligands	3CU, EDO, GLC, SO4

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3CTT \| pdb_00003ctt	Download File View File

Crystal complex of N-terminal Human Maltase-Glucoamylase with Casuarine

Sim, L., Rose, D.R.

(2009) Chemistry 15: 1627-1636

Released	2009-02-24
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Homo sapiens
Macromolecule	Maltase-glucoamylase (protein)
Unique Ligands	3CU, GOL, NAG, SO4

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3NP6 \| pdb_00003np6	Download File View File

The crystal structure of Berberine bound to DNA d(CGTACG)

Ferraroni, M., Bazzicalupi, C., Gratteri, P., Bilia, A.R.

(2011) Chem Commun (Camb) 47: 4917-4919

Released	2011-05-04
Method	X-RAY DIFFRACTION 2.3 Å
Macromolecule	5'-D(CPGPTPAPCPG)-3' (nucleic acid)
Unique Ligands	BER, CA

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3NX5 \| pdb_00003nx5	Download File View File

The crystal structure of Sanguinarine bound to DNA d(CGTACG)

Ferraroni, M., Bazzicalupi, C., Gratteri, P., Bilia, A.R.

(2011) Chem Commun (Camb) 47: 4917-4919

Released	2011-05-04
Method	X-RAY DIFFRACTION 2.31 Å
Macromolecule	5'-D(CPGPTPAPCPG)-3' (nucleic acid)
Unique Ligands	CA, SAU

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3R6R \| pdb_00003r6r	Download File View File

Structure of the complex of an intramolecular human telomeric DNA with Berberine formed in K+ solution

Ferraroni, M., Bazzicalupi, C., Gratteri, P., Bilia, A.R.

(2013) Nucleic Acids Res 41: 632-638

Released	2012-02-29
Method	X-RAY DIFFRACTION 2.4 Å
Macromolecule	DNA (22-mer) (nucleic acid)
Unique Ligands	BER, K

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4D9X \| pdb_00004d9x	Download File View File

The crystal structure of Coptisine bound to DNA d(CGTACG)

Ferraroni, M., Bazzicalupi, C., Gratteri, P., Bilia, A.R.

To be published

Released	2013-01-23
Method	X-RAY DIFFRACTION 2.44 Å
Macromolecule	DNA (5'-D(CPGPTPAPCPG)-3') (nucleic acid)
Unique Ligands	CA, KPT

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4D9Y \| pdb_00004d9y	Download File View File

The crystal structure of Chelerythrine bound to DNA d(CGTACG)

Ferraroni, M., Bazzicalupi, C., Gratteri, P., Bilia, A.R.

To be published

Released	2013-01-23
Method	X-RAY DIFFRACTION 2.1 Å
Macromolecule	DNA (5'-D(CPGPTPAPCPG)-3') (nucleic acid)
Unique Ligands	CA, CTI

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4L5K \| pdb_00004l5k	Download File View File

Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine

Ferraroni, M., Bazzicalupi, C., Gratteri, P.

To be published

Released	2014-07-02
Method	X-RAY DIFFRACTION 2.71 Å
Macromolecule	DNA (5'-D(CPGPAPTPCPG)-3') (nucleic acid)
Unique Ligands	KPT

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4P1D \| pdb_00004p1d	Download File View File

Structure of the complex of a bimolecular human telomeric DNA with Coptisine

Ferraroni, M., Bazzicalupi, C., Gratteri, P.

To be published

Released	2015-03-18
Method	X-RAY DIFFRACTION 1.55 Å
Organisms	Homo sapiens
Macromolecule	telomeric DNA (nucleic acid)
Unique Ligands	K, KPT

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5CCW \| pdb_00005ccw	Download File View File

Structure of the complex of a human telomeric DNA with Au(caffein-2-ylidene)2

Ferraroni, M., Bazzicalupi, C., Gratteri, P., Messori, L., Papi, F.

(2016) Angew Chem Int Ed Engl 55: 4256-4259

Released	2016-03-16
Method	X-RAY DIFFRACTION 1.89 Å
Organisms	Homo sapiens
Macromolecule	human telomeric DNA (nucleic acid)
Unique Ligands	51O, K

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5CDB \| pdb_00005cdb	Download File View File

Structure of the complex of a bimolecular human telomeric DNA with a 13-diphenylalkyl Berberine derivative

Ferraroni, M., Bazzicalupi, C., Gratteri, P., Papi, F.

(2016) Chem Asian J 11: 1107-1115

Released	2016-07-20
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	human telomeric DNA (nucleic acid)
Unique Ligands	50B, K

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5LJQ \| pdb_00005ljq	Download File View File

Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor

Ferraroni, M., Supuran, C.

(2016) J Med Chem 59: 10692-10704

Released	2017-06-21
Method	X-RAY DIFFRACTION 1.05 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	ANV, GOL, ZN

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5LJT \| pdb_00005ljt	Download File View File

Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor

Ferraroni, M., Supuran, C.

(2016) J Med Chem 59: 10692-10704

Released	2017-06-21
Method	X-RAY DIFFRACTION 1 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	A6N, GOL, ZN

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5MVB \| pdb_00005mvb	Download File View File

Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.

Wirmer-Bartoschek, J., Jonker, H.R.A., Bendel, L.E., Gruen, T., Bazzicalupi, C., Messori, L., Gratteri, P., Schwalbe, H.

(2017) Angew Chem Int Ed Engl 56: 7102-7106

Released	2017-05-31
Method	SOLUTION NMR
Organisms	Homo sapiens
Macromolecule	DNA (26-MER) (nucleic acid)
Unique Ligands	AUZ, K

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5N5J \| pdb_00005n5j	Download File View File

Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate

Calderone, V.

(2017) J Med Chem 60: 9003-9011

Released	2017-11-01
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Homo sapiens
Macromolecule	Macrophage metalloelastase (protein)
Unique Ligands	8NT, CA, HAE, ZN

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5N5K \| pdb_00005n5k	Download File View File

Human catalytic MMP-12 in complex with 5-(1,2-dithiolan-3-yl)-N-(3-hydroxypropyl)pentanamide

Calderone, V.

(2017) J Med Chem 60: 9003-9011

Released	2017-11-01
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Homo sapiens
Macromolecule	Macrophage metalloelastase (protein)
Unique Ligands	8NW, CA, HAE, ZN

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5WLR \| pdb_00005wlr	Download File View File

Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide

Lomelino, C.L., Andring, J.T., McKenna, R.

To be published

Released	2018-08-01
Method	X-RAY DIFFRACTION 1.49 Å
Organisms	Homo sapiens
Macromolecule	Carbonic Anhydrase IX-mimic (protein)
Unique Ligands	86B, GOL, ZN

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5WLT \| pdb_00005wlt	Download File View File

Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide

Lomelino, C.L., Andring, J.T., McKenna, R.

(2018) J Med Chem 61: 5380-5394

Released	2018-08-01
Method	X-RAY DIFFRACTION 1.57 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	86B, GOL, ZN

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5WLU \| pdb_00005wlu	Download File View File

Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide

Lomelino, C.L., Andring, J.T., McKenna, R.

To be published

Released	2018-08-01
Method	X-RAY DIFFRACTION 1.39 Å
Organisms	Homo sapiens
Macromolecule	Carbonic Anhydrase IX-mimic (protein)
Unique Ligands	42G, ZN

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5WLV \| pdb_00005wlv	Download File View File

Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide

Lomelino, C.L., Andring, J.T., McKenna, R.

(2018) J Med Chem 61: 5380-5394

Released	2018-08-01
Method	X-RAY DIFFRACTION 1.4 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	42G, DMS, GOL, ZN

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6B59 \| pdb_00006b59	Download File View File

Carbonic anhydrase II in complex with nitrogenous base-bearing benezenesulfonamide

Lomelino, C.L., McKenna, R.M.

(2017) ACS Med Chem Lett 8: 1314-1319

Released	2018-09-05
Method	X-RAY DIFFRACTION 1.638 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	CQS, DMS, GOL, ZN

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6B5A \| pdb_00006b5a	Download File View File

Carbonic anhydrase IX-mimic in complex with nitrogenous base-bearing benezenesulfonamide

Lomelino, C.L., McKenna, R.M.

(2017) ACS Med Chem Lett 8: 1314-1319

Released	2018-09-05
Method	X-RAY DIFFRACTION 1.622 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	CQS, ZN

Explore in 3D

6EBE \| pdb_00006ebe	Download File View File

Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.

Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.

(2018) J Med Chem 61: 10860-10874

Released	2018-11-28
Method	X-RAY DIFFRACTION 1.88 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	J3V, ZN

Explore in 3D

6ECZ \| pdb_00006ecz	Download File View File

Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.

Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.

(2018) J Med Chem 61: 10860-10874

Released	2018-11-28
Method	X-RAY DIFFRACTION 2.21 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	J4D, ZN

Explore in 3D

6EDA \| pdb_00006eda	Download File View File

Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.

Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.

(2018) J Med Chem 61: 10860-10874

Released	2018-11-28
Method	X-RAY DIFFRACTION 1.879 Å
Organisms	Homo sapiens
Macromolecule	Carbonic anhydrase 2 (protein)
Unique Ligands	J3V, ZN

1 to 25 of 54 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

2JJB | pdb_00002jjb

3CTT | pdb_00003ctt

3NP6 | pdb_00003np6

3NX5 | pdb_00003nx5

3R6R | pdb_00003r6r

4D9X | pdb_00004d9x

4D9Y | pdb_00004d9y

4L5K | pdb_00004l5k

4P1D | pdb_00004p1d

5CCW | pdb_00005ccw

5CDB | pdb_00005cdb

5LJQ | pdb_00005ljq

5LJT | pdb_00005ljt

5MVB | pdb_00005mvb

5N5J | pdb_00005n5j

5N5K | pdb_00005n5k

5WLR | pdb_00005wlr

5WLT | pdb_00005wlt

5WLU | pdb_00005wlu

5WLV | pdb_00005wlv

6B59 | pdb_00006b59

6B5A | pdb_00006b5a

6EBE | pdb_00006ebe

6ECZ | pdb_00006ecz

6EDA | pdb_00006eda