Author results

3PBL
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STRUCTURE OF THE HUMAN DOPAMINE D3 RECEPTOR IN COMPLEX WITH ETICLOPRIDE
Descriptor:D(3) dopamine receptor, Lysozyme chimera, 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, ...
Authors:Chien, E.Y.T., Liu, W., Han, G.W., Katritch, V., Zhao, Q., Cherezov, V., Stevens, R.C., Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-10-20
Release date:2010-11-03
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist.
Science, 330, 2010
3POY
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CRYSTAL STRUCTURE OF THE ALPHA-NEUREXIN-1 ECTODOMAIN, LNS 2-6
Descriptor:Neurexin-1-alpha, BETA-D-GLUCOSE, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Miller, M.T., Mileni, M., Comoletti, D., Stevens, R.C., Harel, M., Taylor, P.
Deposit date:2010-11-23
Release date:2011-06-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function.
Structure, 19, 2011
3PPM
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CRYSTAL STRUCTURE OF A NONCOVALENTLY BOUND ALPHA-KETOHETEROCYCLE INHIBITOR (PHENHEXYL/OXADIAZOLE/PYRIDINE) TO A HUMANIZED VARIANT OF FATTY ACID AMIDE HYDROLASE
Descriptor:Fatty-acid amide hydrolase 1, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, CHLORIDE ION, ...
Authors:Mileni, M., Han, G.W., Boger, D.L., Stevens, R.C.
Deposit date:2010-11-24
Release date:2011-11-09
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
3PR0
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CRYSTAL STRUCTURE OF A COVALENTLY BOUND ALPHA-KETOHETEROCYCLE INHIBITOR (PHENHEXYL/OXADIAZOLE/PYRIDINE) TO A HUMANIZED VARIANT OF FATTY ACID AMIDE HYDROLASE
Descriptor:Fatty Acid Amide Hydrolase 1, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, ...
Authors:Mileni, M., Han, G.W., Boger, D.L., Stevens, R.C.
Deposit date:2010-11-29
Release date:2011-11-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
3QIX
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CRYSTAL STRUCTURE OF BONT/A LC WITH ZINC BOUND
Descriptor:Botulinum neurotoxin type A, 1,2-ETHANEDIOL, ZINC ION
Authors:Thompson, A.A., Han, G.W., Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QIY
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CRYSTAL STRUCTURE OF BONT/A LC COMPLEXED WITH HYDROXAMATE-BASED INHIBITOR PT-1
Descriptor:Botulinum neurotoxin type A, ZINC ION, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, ...
Authors:Thompson, A.A., Han, G.W., Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QIZ
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CRYSTAL STRUCTURE OF BONT/A LC COMPLEXED WITH HYDROXAMATE-BASED INHIBITOR PT-2
Descriptor:Botulinum neurotoxin type A, ZINC ION, (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, ...
Authors:Thompson, A.A., Han, G.W., Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QJ0
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CRYSTAL STRUCTURE OF BONT/A LC COMPLEXED WITH HYDROXAMATE-BASED INHIBITOR PT-3
Descriptor:Botulinum neurotoxin type A, ZINC ION, (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, ...
Authors:Thompson, A.A., Han, G.W., Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3V2W
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CRYSTAL STRUCTURE OF A LIPID G PROTEIN-COUPLED RECEPTOR AT 3.35A
Descriptor:Sphingosine 1-phosphate receptor 1, Lysozyme chimera, {(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid, ...
Authors:Hanson, M.A., Roth, C.B., Jo, E., Griffith, M.T., Scott, F.L., Reinhart, G., Desale, H., Clemons, B., Cahalan, S.M., Schuerer, S.C., Sanna, M.G., Han, G.W., Kuhn, P., Rosen, H., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2011-12-12
Release date:2012-02-15
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
3V2Y
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CRYSTAL STRUCTURE OF A LIPID G PROTEIN-COUPLED RECEPTOR AT 2.80A
Descriptor:Sphingosine 1-phosphate receptor 1, Lysozyme chimera (E.C.3.2.1.17), {(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid, ...
Authors:Hanson, M.A., Roth, C.B., Jo, E., Griffith, M.T., Scott, F.L., Reinhart, G., Desale, H., Clemons, B., Cahalan, S.M., Schuerer, S.C., Sanna, M.G., Han, G.W., Kuhn, P., Rosen, H., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2011-12-12
Release date:2012-02-15
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
4DJH
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STRUCTURE OF THE HUMAN KAPPA OPIOID RECEPTOR IN COMPLEX WITH JDTIC
Descriptor:Kappa-type opioid receptor, Lysozyme, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, ...
Authors:Wu, H., Wacker, D., Katritch, V., Mileni, M., Han, G.W., Vardy, E., Liu, W., Thompson, A.A., Huang, X.P., Carroll, F.I., Mascarella, S.W., Westkaemper, R.B., Mosier, P.D., Roth, B.L., Cherezov, V., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2012-02-01
Release date:2012-03-21
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:tructure of the human kappa-opioid receptor in complex with JDTic
Nature, 485, 2012
4EA3
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STRUCTURE OF THE N/OFQ OPIOID RECEPTOR IN COMPLEX WITH A PEPTIDE MIMETIC
Descriptor:Fusion protein of Nociceptin receptor and cytochrome b562, 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors: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., GPCR Network (GPCR)
Deposit date:2012-03-22
Release date:2012-04-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.013 Å)
Cite:Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic.
Nature, 485, 2012
4EIY
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CRYSTAL STRUCTURE OF THE CHIMERIC PROTEIN OF A2AAR-BRIL IN COMPLEX WITH ZM241385 AT 1.8A RESOLUTION
Descriptor:Adenosine receptor A2a/Soluble cytochrome b562 chimera, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, SODIUM ION, ...
Authors: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., GPCR Network (GPCR)
Deposit date:2012-04-06
Release date:2012-07-25
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
4H33
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CRYSTAL STRUCTURE OF A VOLTAGE-GATED K+ CHANNEL PORE MODULE IN A CLOSED STATE IN LIPID MEMBRANES, TETRAGONAL CRYSTAL FORM
Descriptor:Lmo2059 protein, POTASSIUM ION, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Santos, J.S., Asmar-Rovira, G.A., Han, G.W., Liu, W., Syeda, R., Cherezov, V., Baker, K.A., Stevens, R.C., Montal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of a Voltage-gated K+ Channel Pore Module in a Closed State in Lipid Membranes.
J.Biol.Chem., 287, 2012
4H37
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CRYSTAL STRUCTURE OF A VOLTAGE-GATED K+ CHANNEL PORE DOMAIN IN A CLOSED STATE IN LIPID MEMBRANES
Descriptor:Lmo2059 protein, POTASSIUM ION
Authors:Santos, J.S., Asmar-Rovira, G.A., Han, G.W., Liu, W., Syeda, R., Cherezov, V., Baker, K.A., Stevens, R.C., Montal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal Structure of a Voltage-gated K+ Channel Pore Module in a Closed State in Lipid Membranes.
J.Biol.Chem., 287, 2012
4IAQ
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CRYSTAL STRUCTURE OF THE CHIMERIC PROTEIN OF 5-HT1B-BRIL IN COMPLEX WITH DIHYDROERGOTAMINE (PSI COMMUNITY TARGET)
Descriptor:Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine
Authors:Wang, C., Jiang, Y., Ma, J., Wu, H., Wacker, D., Katritch, V., Han, G.W., Liu, W., Huang, X., Vardy, E., McCorvy, J.D., Gao, X., Zhou, E.X., Melcher, K., Zhang, C., Bai, F., Yang, H., Yang, L., Jiang, H., Roth, B.L., Cherezov, V., Stevens, R.C., Xu, H.E., GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
4IAR
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CRYSTAL STRUCTURE OF THE CHIMERIC PROTEIN OF 5-HT1B-BRIL IN COMPLEX WITH ERGOTAMINE (PSI COMMUNITY TARGET)
Descriptor:Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Wang, C., Jiang, Y., Ma, J., Wu, H., Wacker, D., Katritch, V., Han, G.W., Liu, W., Huang, X., Vardy, E., McCorvy, J.D., Gao, X., Zhou, E.X., Melcher, K., Zhang, C., Bai, F., Yang, H., Yang, L., Jiang, H., Roth, B.L., Cherezov, V., Stevens, R.C., Xu, H.E., GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
4IB4
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CRYSTAL STRUCTURE OF THE CHIMERIC PROTEIN OF 5-HT2B-BRIL IN COMPLEX WITH ERGOTAMINE
Descriptor:Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562, Ergotamine, PALMITIC ACID, ...
Authors:Wacker, D., Wang, C., Katritch, V., Han, G.W., Huang, X., Vardy, E., McCorvy, J.D., Jiang, Y., Chu, M., Siu, F.Y., Liu, W., Xu, H.E., Cherezov, V., Roth, B.L., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural features for functional selectivity at serotonin receptors.
Science, 340, 2013
4J5P
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CRYSTAL STRUCTURE OF A COVALENTLY BOUND ALPHA-KETOHETEROCYCLE INHIBITOR (PHENHEXYL/OXADIAZOLE/PYRIDINE) TO A HUMANIZED VARIANT OF FATTY ACID AMIDE HYDROLASE
Descriptor:Fatty-acid amide hydrolase 1, (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol, DI(HYDROXYETHYL)ETHER, ...
Authors:Otrubova, K., Brown, M., McCormick, M.S., Han, G.W., O'Neal, S.T., Cravatt, B.F., Stevens, R.C., Lichtman, A.H., Boger, D.L.
Deposit date:2013-02-08
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues.
J.Am.Chem.Soc., 135, 2013
4J6S
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14-3-3GAMMA COMPLEXED WITH THE N-TERMINAL SEQUENCE OF TYROSINE HYDROXYLASE (RESIDUES 1-43)
Descriptor:14-3-3 protein gamma, N-terminal motif of tyrosine hydroxylase
Authors:Mileni, M., Martinez, A., Stevens, R.C.
Deposit date:2013-02-11
Release date:2013-10-02
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:The N-terminal sequence of tyrosine hydroxylase is a conformationally versatile motif that binds 14-3-3 proteins and membranes.
J.Mol.Biol., 426, 2014
4JKV
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STRUCTURE OF THE HUMAN SMOOTHENED 7TM RECEPTOR IN COMPLEX WITH AN ANTITUMOR AGENT
Descriptor:Soluble cytochrome b562, Smoothened homolog, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, ...
Authors:Wang, C., Wu, H., Katritch, V., Han, G.W., Huang, X., Liu, W., Siu, F.Y., Roth, B.L., Cherezov, V., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2013-03-11
Release date:2013-04-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of the human smoothened receptor bound to an antitumour agent.
Nature, 497, 2013
4L6R
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STRUCTURE OF THE CLASS B HUMAN GLUCAGON G PROTEIN COUPLED RECEPTOR
Descriptor:Soluble cytochrome b562 and Glucagon receptor chimera, DI(HYDROXYETHYL)ETHER
Authors:Siu, F.Y., He, M., de Graaf, C., Han, G.W., Yang, D., Zhang, Z., Zhou, C., Xu, Q., Wacker, D., Joseph, J.S., Liu, W., Lau, J., Cherezov, V., Katritch, V., Wang, M.W., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2013-06-12
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the human glucagon class B G-protein-coupled receptor.
Nature, 499, 2013
4MBS
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CRYSTAL STRUCTURE OF THE CCR5 CHEMOKINE RECEPTOR
Descriptor:Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, ZINC ION, ...
Authors:Tan, Q., Zhu, Y., Han, G.W., Li, J., Fenalti, G., Liu, H., Cherezov, V., Stevens, R.C., GPCR Network (GPCR), Zhao, Q., Wu, B.
Deposit date:2013-08-19
Release date:2013-09-11
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
4N4W
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STRUCTURE OF THE HUMAN SMOOTHENED RECEPTOR IN COMPLEX WITH SANT-1.
Descriptor:Cytochrome b(562),Smoothened homolog, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Wang, C., Wu, H., Han, G.W., Cherezov, V., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2013-10-08
Release date:2014-01-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4N6H
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1.8 A STRUCTURE OF THE HUMAN DELTA OPIOID 7TM RECEPTOR (PSI COMMUNITY TARGET)
Descriptor:Soluble cytochrome b562, Delta-type opioid receptor chimeric protein, OLEIC ACID, ...
Authors:Fenalti, G., Giguere, P.M., Katritch, V., Huang, X.-P., Thompson, A.A., Han, G.W., Cherezov, V., Roth, B.L., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2013-10-12
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014