6HLP
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![BU of 6hlp by Molmil](/molmil-images/mine/6hlp) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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6HLO
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![BU of 6hlo by Molmil](/molmil-images/mine/6hlo) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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8U26
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![BU of 8u26 by Molmil](/molmil-images/mine/8u26) | |
6J20
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![BU of 6j20 by Molmil](/molmil-images/mine/6j20) | Crystal structure of the human NK1 substance P receptor | Descriptor: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | Deposit date: | 2018-12-30 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography. Nat Commun, 10, 2019
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7P00
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![BU of 7p00 by Molmil](/molmil-images/mine/7p00) | Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | Deposit date: | 2021-06-29 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features. Sci Adv, 7, 2021
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7P02
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![BU of 7p02 by Molmil](/molmil-images/mine/7p02) | Human Neurokinin 1 receptor (NK1R) substance P Gs complex | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | Deposit date: | 2021-06-29 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features. Sci Adv, 7, 2021
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7RMG
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![BU of 7rmg by Molmil](/molmil-images/mine/7rmg) | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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7RMH
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![BU of 7rmh by Molmil](/molmil-images/mine/7rmh) | Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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6J21
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![BU of 6j21 by Molmil](/molmil-images/mine/6j21) | Crystal structure of the human NK1 substance P receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | Deposit date: | 2018-12-30 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography. Nat Commun, 10, 2019
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7RMI
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![BU of 7rmi by Molmil](/molmil-images/mine/7rmi) | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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6HLL
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![BU of 6hll by Molmil](/molmil-images/mine/6hll) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994 | Descriptor: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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6E59
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![BU of 6e59 by Molmil](/molmil-images/mine/6e59) | Crystal structure of the human NK1 tachykinin receptor | Descriptor: | 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine, Substance-P receptor, GlgA glycogen synthase, ... | Authors: | Yin, J, Clark, L, Chapman, K, Shao, Z, Borek, D, Xu, Q, Wang, J, Rosenbaum, D.M. | Deposit date: | 2018-07-19 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of the human NK1tachykinin receptor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2KSB
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![BU of 2ksb by Molmil](/molmil-images/mine/2ksb) | |
2KSA
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![BU of 2ksa by Molmil](/molmil-images/mine/2ksa) | |
2KS9
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![BU of 2ks9 by Molmil](/molmil-images/mine/2ks9) | |