Author results

2N2F
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SOLUTION NMR STRUCTURE OF DYNORPHIN 1-13 BOUND TO KAPPA OPIOID RECEPTOR
Descriptor:Dynorphin A(1-13)
Authors:O'Connor, C., White, K., Doncescu, N., Didenko, T., Roth, B.L., Czaplicki, G., Stevens, R.C., Wuthrich, K., Milon, A.
Deposit date:2015-05-06
Release date:2015-09-09
Last modified:2015-10-14
Method:SOLUTION NMR
Cite:NMR structure and dynamics of the agonist dynorphin peptide bound to the human kappa opioid receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
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
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
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
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
4QIM
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STRUCTURE OF THE HUMAN SMOOTHENED RECEPTOR IN COMPLEX WITH ANTA XV
Descriptor:Smoothened homolog/Soluble cytochrome b562 chimeric protein, 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, ZINC ION
Authors:Wang, C., Wu, H., Evron, T., Vardy, E., Han, G.W., Huang, X.-P., Hufeisen, S.J., Mangano, T.J., Urban, D.J., Katritch, V., Cherezov, V., Caron, M.G., Roth, B.L., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QIN
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STRUCTURE OF THE HUMAN SMOOTHENED RECEPTOR IN COMPLEX WITH SAG1.5
Descriptor:Smoothened homolog/Soluble cytochrome b562 chimeric protein, 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide
Authors:Wang, C., Wu, H., Evron, T., Vardy, E., Han, G.W., Huang, X.-P., Hufeisen, S.J., Mangano, T.J., Urban, D.J., Katritch, V., Cherezov, V., Caron, M.G., Roth, B.L., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4RWA
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SYNCHROTRON STRUCTURE OF THE HUMAN DELTA OPIOID RECEPTOR IN COMPLEX WITH A BIFUNCTIONAL PEPTIDE (PSI COMMUNITY TARGET)
Descriptor:Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Fenalti, G., Zatsepin, N.A., Betti, C., Giguere, P., Han, G.W., Ishchenko, A., Liu, W., Guillemyn, K., Zhang, H., James, D., Wang, D., Weierstall, U., Spence, J.C.H., Boutet, S., Messerschmidt, M., Williams, G.J., Gati, C., Yefanov, O.M., White, T.A., Oberthuer, D., Metz, M., Yoon, C.H., Barty, A., Chapman, H.N., Basu, S., Coe, J., Conrad, C.E., Fromme, R., Fromme, P., Tourwe, D., Schiller, P.W., Roth, B.L., Ballet, S., Katritch, V., Stevens, R.C., Cherezov, V., GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RWD
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XFEL STRUCTURE OF THE HUMAN DELTA OPIOID RECEPTOR IN COMPLEX WITH A BIFUNCTIONAL PEPTIDE
Descriptor:Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide, OLEIC ACID, ...
Authors:Fenalti, G., Zatsepin, N.A., Betti, C., Giguere, P., Han, G.W., Ishchenko, A., Liu, W., Guillemyn, K., Zhang, H., James, D., Wang, D., Weierstall, U., Spence, J.C.H., Boutet, S., Messerschmidt, M., Williams, G.J., Gati, C., Yefanov, O.M., White, T.A., Oberthuer, D., Metz, M., Yoon, C.H., Barty, A., Chapman, H.N., Basu, S., Coe, J., Conrad, C.E., Fromme, R., Fromme, P., Tourwe, D., Schiller, P.W., Roth, B.L., Ballet, S., Katritch, V., Stevens, R.C., Cherezov, V., GPCR Network (GPCR)
Deposit date:2014-12-02
Release date:2015-01-14
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RYL
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HUMAN PROTEIN ARGININE METHYLTRANSFERASE 3 IN COMPLEX WITH 1-ISOQUINOLIN-6-YL-3-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]UREA
Descriptor:PRMT3 protein, 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, UNKNOWN ATOM OR ION
Authors:Dong, A., Dobrovetsky, E., Kaniskan, H.U., Szewczyk, M., Yu, Z., Eram, M.S., Yang, X., Schmidt, K., Luo, X., Dai, M., He, F., Zang, I., Lin, Y., Kennedy, S., Li, F., Tempel, W., Smil, D., Min, S.J., Landon, M., Lin-Jones, J., Huang, X.P., Roth, B.L., Schapira, M., Atadja, P., Barsyte-Lovejoy, D., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Brown, P.J., Zhao, K., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2014-12-15
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3).
Angew.Chem.Int.Ed.Engl., 54, 2015
5TVN
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CRYSTAL STRUCTURE OF THE LSD-BOUND 5-HT2B RECEPTOR
Descriptor:Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ...
Authors:Wacker, D., Wang, S., McCorvy, J.D., Betz, R.M., Venkatakrishnan, A.J., Levit, A., Lansu, K., Schools, Z.L., Che, T., Nichols, D.E., Shoichet, B.K., Dror, R.O., Roth, B.L.
Deposit date:2016-11-09
Release date:2017-02-01
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of an LSD-Bound Human Serotonin Receptor.
Cell, 168, 2017
5WIU
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STRUCTURE OF THE HUMAN D4 DOPAMINE RECEPTOR IN COMPLEX WITH NEMONAPRIDE
Descriptor:D(4) dopamine receptor, soluble cytochrome b562 chimera, Nemonapride, ...
Authors:Wacker, D., Wang, S., Levit, A., Che, T., Betz, R.M., McCorvy, J.D., Venkatakrishnan, A.J., Huang, X.-P., Dror, R.O., Shoichet, B.K., Roth, B.L.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
5WIV
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STRUCTURE OF THE SODIUM-BOUND HUMAN D4 DOPAMINE RECEPTOR IN COMPLEX WITH NEMONAPRIDE
Descriptor:D(4) dopamine receptor, soluble cytochrome b562 chimera, Nemonapride, ...
Authors:Wacker, D., Wang, S., Levit, A., Che, T., Betz, R.M., McCorvy, J.D., Venkatakrishnan, A.J., Huang, X.-P., Dror, R.O., Shoichet, B.K., Roth, B.L.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
6B73
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CRYSTAL STRUCTURE OF A NANOBODY-STABILIZED ACTIVE STATE OF THE KAPPA-OPIOID RECEPTOR
Descriptor:Soluble cytochrome b562, kappa-type opioid receptor, Nanobody, ...
Authors:Che, T., Majumdar, S., Zaidi, S.A., Kormos, C., McCorvy, J.D., Wang, S., Mosier, P.D., Uprety, R., Vardy, E., Krumm, B.E., Han, G.W., Lee, M.Y., Pardon, E., Steyaert, J., Huang, X.P., Strachan, R.T., Tribo, A.R., Pasternak, G.W., Carroll, I.F., Stevens, R.C., Cherezov, V., Katritch, V., Wacker, D., Roth, B.L.
Deposit date:2017-10-03
Release date:2018-01-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
6BQG
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CRYSTAL STRUCTURE OF 5-HT2C IN COMPLEX WITH ERGOTAMINE
Descriptor:5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Peng, Y., McCorvy, J.D., Harpsoe, K., Lansu, K., Yuan, S., Popov, P., Qu, L., Pu, M., Che, T., Nikolajse, L.F., Huang, X.P., Wu, Y., Shen, L., Bjorn-Yoshimoto, W.E., Ding, K., Wacker, D., Han, G.W., Cheng, J., Katritch, V., Jensen, A.A., Hanson, M.A., Zhao, S., Gloriam, D.E., Roth, B.L., Stevens, R.C., Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6BQH
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CRYSTAL STRUCTURE OF 5-HT2C IN COMPLEX WITH RITANSERIN
Descriptor:5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Peng, Y., McCorvy, J.D., Harpsoe, K., Lansu, K., Yuan, S., Popov, P., Qu, L., Pu, M., Che, T., Nikolajse, L.F., Huang, X.P., Wu, Y., Shen, L., Bjorn-Yoshimoto, W.E., Ding, K., Wacker, D., Han, G.W., Cheng, J., Katritch, V., Jensen, A.A., Hanson, M.A., Zhao, S., Gloriam, D.E., Roth, B.L., Stevens, R.C., Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6CM4
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STRUCTURE OF THE D2 DOPAMINE RECEPTOR BOUND TO THE ATYPICAL ANTIPSYCHOTIC DRUG RISPERIDONE
Descriptor:D(2) dopamine receptor, endolysin chimera, 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, ...
Authors:Wang, S., Che, T., Levit, A., Shoichet, B.K., Wacker, D., Roth, B.L.
Deposit date:2018-03-02
Release date:2018-03-14
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.867 Å)
Cite:Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone.
Nature, 555, 2018
6DRX
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STRUCTURAL DETERMINANTS OF ACTIVATION AND BIASED AGONISM AT THE 5-HT2B RECEPTOR
Descriptor:5HT2B receptor, BRIL chimera, N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea, ...
Authors:McCorvy, J.D., Wacker, D., Wang, S., Agegnehu, B., Liu, J., Lansu, K., Tribo, A.R., Olsen, R.H.J., Che, T., Jin, J., Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DRY
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STRUCTURAL DETERMINANTS OF ACTIVATION AND BIASED AGONISM AT THE 5-HT2B RECEPTOR
Descriptor:5HT2B receptor, BRIL chimera, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, ...
Authors:McCorvy, J.D., Wacker, D., Wang, S., Agegnehu, B., Liu, J., Lansu, K., Tribo, A.R., Olsen, R.H.J., Che, T., Jin, J., Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.918 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DRZ
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STRUCTURAL DETERMINANTS OF ACTIVATION AND BIASED AGONISM AT THE 5-HT2B RECEPTOR
Descriptor:5HT2B receptor, BRIL chimera, CHOLESTEROL, ...
Authors:McCorvy, J.D., Wacker, D., Wang, S., Agegnehu, B., Liu, J., Lansu, K., Tribo, A.R., Olsen, R.H.J., Che, T., Jin, J., Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DS0
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STRUCTURAL DETERMINANTS OF ACTIVATION AND BIASED AGONISM AT THE 5-HT2B RECEPTOR
Descriptor:5HT2B receptor, BRIL chimera, CHOLESTEROL, ...
Authors:McCorvy, J.D., Wacker, D., Wang, S., Agegnehu, B., Liu, J., Lansu, K., Tribo, A.R., Olsen, R.H.J., Che, T., Jin, J., Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (3.188 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6ME2
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XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH RAMELTEON
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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