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Structures

Num

PDB

Descriptor

Deposition Date

Authors

PDBSum

PubMed

54.

4FAA

Structure of Recombinant Cytochrome ba3 Oxidase mutant A120F+A204F from Thermus thermophilus

5/21/2012

Li, Y., Chen, Y., Stout, C.D.

PDBSum

PubMed

53.

4FA7

Structure of Recombinant Cytochrome ba3 Oxidase mutant A204F from Thermus thermophilus

5/21/2012

Li, Y., Chen, Y., Stout, C.D.

PDBSum

PubMed

52.

4F05

Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133F from Thermus thermophilus

5/13/2012

Li, Y., Chen, Y., Stout, C.D.

PDBSum

PubMed

51.

4EV3

Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W from Thermus thermophilus

4/25/2012

Li, Y., Chen, Y., Stout, C.D.

PDBSum

PubMed

50.

4ESL

Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W+T231F from Thermus thermophilus

4/23/2012

Li, Y., Chen, Y., Stout, C.D.

PDBSum

PubMed

49.

4EIY

Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution

4/06/2012

Liu, W., Chun, E., Thompson, A.A., Chubukov, P., Xu, F., Katritch, V., Han, G.W., Heitman, L.H., Ijzerman, A.P., Cherezov, V., Stevens, R.C.

PDBSum

PubMed

48.

4EA3

Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic.

3/22/2012

Thompson, A.A., Liu, W., Chun, E., Katritch, V., Wu, H., Vardy, E., Huang, X.P., Trapella, C., Guerrini, R., Calo, G., Roth, B.L., Cherezov, V., Stevens, R.C.
Nature,2012;485:395-9.

PDBSum

PubMed

47.

4E1T

Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.

3/07/2012

Fairman, J.W., Dautin, N., Wojtowicz, D., Liu, W., Noinaj, N., Barnard, T.J., Udho, E., A., Przytycka, T.M., Cherezov, V., Buchanan, S.K.
Structure 2012

PDBSum

PubMed

46.

4E1S

Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.

3/07/2012

Fairman, J.W., Dautin, N., Wojtowicz, D., Liu, W., Noinaj, N., Barnard, T.J., Udho, E., A., Przytycka, T.M., Cherezov, V., Buchanan, S.K.
Structure. 2012

PDBSum

PubMed

45.

4DJH

Structure of the human kappa-opioid receptor in complex with JDTic

2/01/2012

Wu H, Wacker D, Mileni M, Katritch V, Han GW, Vardy E, Liu W, Thompson AA, Huang XP, Carroll FI, Mascarella SW, Westkaemper RB, Mosier PD, Roth BL, Cherezov V, Stevens RC.
Nature, 2012;485:327-32.

PDBSum

PubMed

44.

3V2W

Crystal structure of a lipid G protein-coupled receptor

12/12/2011

M.A. Hanson, C.B. Roth, E. Jo, M.T. Griffith, F.L. Scott, G. Reinhart, H. Desale, B. Clemons, S.M. Cahalan, S.C. Schuerer, M.G. Sanna, G.W. Han, P. Kuhn, H. Rosen, R.C. Stevens
Science, 2012;335:851-5.

PDBSum

PubMed

43.

3V2Y

Crystal structure of a lipid G protein-coupled receptor

12/12/2011

M.A. Hanson, C.B. Roth, E. Jo, M.T. Griffith, F.L. Scott, G. Reinhart, H. Desale, B. Clemons, S.M. Cahalan, S.C. Schuerer, M.G. Sanna, G.W. Han, P. Kuhn, H. Rosen, R.C. Stevens
Science, 2012;335:851-5.

PDBSum

PubMed

42.

3TK3

Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.

8/25/2011

P.R. Wilderman, S.C. Gay, H.H. Jang, Q. Zhang, C.D. Stout, J.R. Halpert
FEBS J., 2012;279:1607-20

PDBSum

PubMed

41.

3S8F

1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment

5/27/2011

T. Tiefenbrunn, W. Liu,Y. Chen, V. Katritch, C.D. Stout, J.A. Fee, V.Cherezov
PLoS One.,2011;6:e22348

PDBSum

PubMed

40.

3S8G

1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment

5/27/2011

T. Tiefenbrunn, W. Liu,Y. Chen, V. Katritch, C.D. Stout, J.A. Fee, V.Cherezov
PLoS One.,2011;6:e22348

PDBSum

PubMed

39.

3RZE

Structure of the human histamine H1 receptor in complex with doxepin

5/11/2011

T. Shimamura, M. Shiroishi, S. Weyand, H. Tsujimoto, G. Winter, V. Katritch,R. Abagyan, V. Cherezov, W. Liu, G. W. Han, T. Kobayashi, R. C. Stevens, S. Iwata
Nature, 2011;475:65-70.

PDBSum

PubMed

38.

3R1A

Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene

3/09/2011

S.C. Gay, H. Zhang, C.D. Stout, P.F. Hollenberg, J.R. Halpert
Biochemistry,2011;50:4903-11

PDBSum

PubMed

37.

3R1B

Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene

3/09/2011

S.C. Gay, H. Zhang, C.D. Stout, P.F. Hollenberg, J.R. Halpert
Biochemistry, 2011;50:4903-11.

PDBSum

PubMed

36.

1885

Functional Implications of an Intermeshing Cogwheel-Like Interaction between TolC and MacA in the Action of Macrolide-Specific Efflux Pump MacAB-TolC

2/25/2011

Y. Xu, S. Song, A. Moeller, S. Piao, S.-H. Sim, M. Kang, W. Yu, H.-S. Cho, I. Chang, K. Lee, N.-C. Ha
J Biol Chem.,2011;286:13541-9.

EMDB

PubMed

35.

3QOA

Structures of cytochrome P450 2B6 bound to 4-benzylpyridine and 4-(4-nitrobenzyl)pyridine: insight into inhibitor binding and rearrangement of active site side chains

2/23/2011

M.B. Shah, J. Pascual, Q.Zhang, C.D. Stout, J.R. Halpert
Mol Pharmacol.,2011;80:1047-55.

PDBSum

PubMed

34.

3QU8

Structures of cytochrome P450 2B6 bound to 4-benzylpyridine and 4-(4-nitrobenzyl)pyridine: insight into inhibitor binding and rearrangement of active site side chains

2/09/2011

M.B. Shah, J. Pascual, Q.Zhang, C.D. Stout, J.R. Halpert
Mol Pharmacol.,2011;80:1047-55.

PDBSum

PubMed

33.

3QAK

Structure of an agonist-bound human A2A adenosine receptor

1/11/2011

F. Xu, H. Wu, V. Katritch, G. W. Han, K. A. Jacobson, Z. G. Gao, V. Cherezov and R. C. Stevens
Science,2011;332:322-7.

PDBSum

PubMed

32.

3POY

Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6

11/23/2010

M.T. Miller, M. Mileni, D. Comoletti, R.C. Stevens, M. Harel, P. Taylor
Structure, 2011;19:767-78

PDBSum

PubMed

31.

3PBL

Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist

10/20/2010

E. Y. Chien, W. Liu, Q. Zhao, V. Katritch, G. W. Han, M. A. Hanson, L. Shi, A. H. Newman, J. A. Javitch, V. Cherezov and R. C. Stevens
Science,2010;330:1091-5.

PDBSum

PubMed

30.

3OE6

Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists

Complex with a small molecule antagonist IT1t in I222 spacegroup

8/12/2010

B. Wu, E. Y. Chien, C. D. Mol, G. Fenalti, W. Liu, V. Katritch, R. Abagyan, A. Brooun, P. Wells, F. C. Bi, D. J. Hamel, P. Kuhn, T. M. Handel, V. Cherezov and R. C. Stevens
Science.,2010;330:1066-71.

PDBSum

PubMed

29.

3ODU

Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists

Complex with a small molecule antagonist IT1t in P2(1) spacegroup

8/12/2010

B. Wu, E. Y. Chien, C. D. Mol, G. Fenalti, W. Liu, V. Katritch, R. Abagyan, A. Brooun, P. Wells, F. C. Bi, D. J. Hamel, P. Kuhn, T. M. Handel, V. Cherezov and R. C. Stevens
Science,2010;330:1066-71

PDBSum

PubMed

28.

3OE8

Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists

Complex with a small molecule antagonist IT1t in P1 spacegroup

8/12/2010

B. Wu, E. Y. Chien, C. D. Mol, G. Fenalti, W. Liu, V. Katritch, R. Abagyan, A. Brooun, P. Wells, F. C. Bi, D. J. Hamel, P. Kuhn, T. M. Handel, V. Cherezov and R. C. Stevens
Science,2010;330:1066-71

PDBSum

PubMed

27.

3OE9

Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists

Complex with a small molecule antagonist IT1t in P1 spacegroup

8/12/2010

B. Wu, E. Y. Chien, C. D. Mol, G. Fenalti, W. Liu, V. Katritch, R. Abagyan, A. Brooun, P. Wells, F. C. Bi, D. J. Hamel, P. Kuhn, T. M. Handel, V. Cherezov and R. C. Stevens
Science,2010;330:1066-71

PDBSum

PubMed

26.

3OE0

Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists

Complex with a cyclic peptide antagonist CVX15

8/12/2010

B. Wu, E. Y. Chien, C. D. Mol, G. Fenalti, W. Liu, V. Katritch, R. Abagyan, A. Brooun, P. Wells, F. C. Bi, D. J. Hamel, P. Kuhn, T. M. Handel, V. Cherezov and R. C. Stevens
Science,2010;330:1066-71

PDBSum

PubMed

25.

3NY8

Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography

Complex with Inverse Agonist ICI 118,551

7/14/2010

D. Wacker, G. Fenalti, M. A. Brown, V. Katritch, R. Abagyan, V. Cherezov and R. C. Stevens
J Am Chem Soc.,2010;132:11443-5.

PDBSum

PubMed

24.

3NY9

Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography

Complex with Inverse Agonist Compound 1

7/14/2010

D. Wacker, G. Fenalti, M. A. Brown, V. Katritch, R. Abagyan, V. Cherezov and R. C. Stevens
J Am Chem Soc.,2010;132:11443-5.

PDBSum

PubMed

23.

3NYA

Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography

Complex with Antagonist Alprenolol

7/14/2010

D. Wacker, G. Fenalti, M. A. Brown, V. Katritch, R. Abagyan, V. Cherezov and R. C. Stevens
J Am Chem Soc.,2010;132:11443-5.

PDBSum

PubMed

22.

3MVR

Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation

5/04/2010

M.B. Shah, C.D. Stout, J.R. Halpert
J Biol Chem.,2010;285:38602-11.

PDBSum

PubMed

21.

3MKT

Structure of a Cation-bound Multidrug and Toxin Compound Extrusion (MATE) transporter

4/15/2010

X. He, P. Szewczyk, A. Karyakin, M. Evin, W.-X. Hong, Q. Zhang, G. Chang
Nature.,2010;467:991-4.

PDBSum

PubMed

20.

3MKU

Structure of a Cation-bound Multidrug and Toxin Compound Extrusion (MATE) transporter

4/15/2010

X. He, P. Szewczyk, A. Karyakin, M. Evin, W.-X. Hong, Q. Zhang, G. Chang
Nature.,2010;467:991-4

PDBSum

PubMed

19.

3ME6

Crystal structure of cytochrome P450 2B4 in complex with the anti-platelet drug clopidogrel

3/31/2010

S.C.Gay, A.G. Roberts, K. Maekawa, J.C. Talakad, W.X. Hong, Q. Zhang, C.D. Stout, J.R. Halpert
Biochemistry, 2010;49:8709-20

PDBSum

PubMed

18.

3KW4

Crystal structure of cytochrome P450 2B4 in complex with the anti-platelet drug ticlopidine

11/30/2009

S.C. Gay, K. Maekawa, A.G. Roberts, W. -X. Hong, Q. Zhang, C.D. Stout, J.R. Halpert
Biochemistry, 2010;49:8709-20

PDBSum

PubMed

17.

3K9V

Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CHAPS

10/16/2009

A. J. Annalora, D.B. Goodin, W. Hong, Q. Zhang, E. F. Johnson, C.D. Stout
J Mol Biol.,2010;396:441-51.

PDBSum

PubMed

16.

3K9Y

Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CYMAL-5

10/16/2009

A. J. Annalora, D.B. Goodin, W. Hong, Q. Zhang, E. F. Johnson, C.D. Stout
J Mol Biol.,2010;396:441-51.

PDBSum

PubMed

15.

3IBD

Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole

10/16/2009

S.C.Gay, L. Sun, J.C. Talakad, M.B. Shah, D.C. Stout, J.R. Halpert
Mol Pharmacol.,2010;77:529-38.

PDBSum

PubMed

14.

3G61

Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

2/05/2009

Aller, S.G., Yu, J., Ward, A., Weng, Y., Chittaboina, S., Zhuo, R., Harrell, P.M., Trinh, Y.T., Zhang, Q., Urbatsch, I.L., Chang, G.
Science,2009;323:1718-22

PDBSum

PubMed

13.

3G60

Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

2/05/2009

Aller, S.G., Yu, J., Ward, A., Weng, Y., Chittaboina, S., Zhuo, R., Harrell, P.M., Trinh, Y.T., Zhang, Q., Urbatsch, I.L., Chang, G.
Science,2009;323:1718-22

PDBSum

PubMed

12.

3G5U

Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

2/05/2009

Aller, S.G., Yu, J., Ward, A., Weng, Y., Chittaboina, S., Zhuo, R., Harrell, P.M., Trinh, Y.T., Zhang, Q., Urbatsch, I.L., Chang, G.
Science,2009;323:1718-22

PDBSum

PubMed

11.

3EML

The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385

9/24/2008

Jaakola, V.-P., Griffith, M.T., Hanson, M.A., Cherezov, V., Chien, E.Y.T., Lane, J.R., Ijzerman, A.P., Stevens, R.C.
Science, 2008;322:1211-7

PDBSum

PubMed

10.

3D4S

Cholesterol bound form of human beta2 adrenergic receptor

5/14/2008

Hanson, M.A., Cherezov, V., Roth, C.B., Griffith, M.T., Jaakola, V-P., Chien, E.Y.T., Velasquez, J., Kuhn, P., Stevens, R.C.
Structure,2008;16:897-905.

PDBSum

PubMed

9.

3B62

EmrE multidrug transporter in complex with P4P, P21 crystal form

10/26/2007

Chen, Y.J., Pornillos, O., Lieu, S., Ma, C., Chen, A.P., Chang, G.
Proc Natl Acad Sci.,2007;104:18999-9004.

PDBSum

PubMed

8.

3B61

EmrE multidrug transporter, apo crystal form

10/26/2007

Chen, Y.J., Pornillos, O., Lieu, S., Ma, C., Chen, A.P., Chang, G.
Proc Natl Acad Sci.,2007;104:18999-9004.

PDBSum

PubMed

7.

3B60

Crystal Structure of MsbA from Salmonella typhimurium with AMPPNP, higher resolution form

10/26/2007

Ward, A., Reyes, C.L., Yu, J., Roth, C.B., Chang, G.
Proc Natl Acad Sci.,2007;104:18999-9004.

PDBSum

PubMed

6.

3B5Z

Crystal Structure of MsbA from Salmonella typhimurium with ADP Vanadate

10/26/2007

Ward, A., Reyes, C.L., Yu, J., Roth, C.B., Chang, G.
Proc Natl Acad Sci.,2007;104:18999-9004.

PDBSum

PubMed

5.

3B5W

Crystal Structure of Eschericia coli MsbA

10/26/2007

Ward, A., Reyes, C.L., Yu, J., Roth, C.B., Chang, G.
Proc Natl Acad Sci.,2007;104:18999-9004.

PDBSum

PubMed

4.

3B5Y

Crystal Structure of MsbA from Salmonella typhimurium with AMPPNP

10/26/2007

Ward, A., Reyes, C.L., Yu, J., Roth, C.B., Chang, G.
Proc Natl Acad Sci.,2007;104:18999-9004.

PDBSum

PubMed

3.

3B5X

Crystal Structure of MsbA from Vibrio cholerae

10/26/2007

Ward, A., Reyes, C.L., Yu, J., Roth, C.B., Chang, G.,
Proc Natl Acad Sci.,2007;104:18999-9004.:

PDBSum

PubMed

2.

3B5D

EmrE multidrug transporter in complex with TPP, C2 crystal form

10/25/2007

Chen, Y.J., Pornillos, O., Lieu, S., Ma, C., Chen, A.P., Chang, G.
Proc Natl Acad Sci., 2007;104:18999-9004.

PDBSum

PubMed

1.

2RH1

High resolution crystal structure of human B2-adrenergic G protein-coupled receptor

10/05/2007

Cherezov, V., Rosenbaum, D.M., Hanson, M.A., Rasmussen, S.G.F., Thian, F.S., Kobilka, T.S., Choi, H.J., Kuhn, P., Weis, W.I., Kobilka, B.K., Stevens, R.C.
Science,2007;318:1258-65

PDBSum

PubMed