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4MDT
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BU of 4mdt by Molmil
Structure of LpxC bound to the reaction product UDP-(3-O-(R-3-hydroxymyristoyl))-glucosamine
Descriptor: PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ...
Authors:Clayton, G.M, Klein, D.J, Rickert, K.W, Patel, S.B, Kornienko, M, Zugay-Murphy, J, Reid, J.C, Tummala, S, Sharma, S, Singh, S.B, Miesel, L, Lumb, K.J, Soisson, S.M.
Deposit date:2013-08-23
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of the Bacterial Deacetylase LpxC Bound to the Nucleotide Reaction Product Reveals Mechanisms of Oxyanion Stabilization and Proton Transfer.
J.Biol.Chem., 288, 2013
7L1U
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BU of 7l1u by Molmil
Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB)
Descriptor: Engineered Guanine nucleotide-binding protein subunit alpha, 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, ...
Authors:Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K.
Deposit date:2020-12-15
Release date:2021-02-10
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
7L1V
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BU of 7l1v by Molmil
Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1
Descriptor: 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K.
Deposit date:2020-12-15
Release date:2021-02-10
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
5TZY
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BU of 5tzy by Molmil
GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ...
Authors:Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
Deposit date:2016-11-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
5TZR
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BU of 5tzr by Molmil
GPR40 in complex with partial agonist MK-8666
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ...
Authors:Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
Deposit date:2016-11-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
5KML
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BU of 5kml by Molmil
TrkA JM-kinase with 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
Descriptor: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMN
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BU of 5kmn by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
Descriptor: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMK
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BU of 5kmk by Molmil
TrkA JM-kinase with 2-fluoro-{N}-[2-(4-fluorophenyl)-6-methyl-3-pyridyl]-4-(trifluoromethyl)benzamide
Descriptor: 2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMO
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BU of 5kmo by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea
Descriptor: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMI
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BU of 5kmi by Molmil
TrkA JM-kinase with 1-(9{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
Descriptor: 1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMJ
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BU of 5kmj by Molmil
TrkA JM-kinase with {N}-(2-pyridylmethyl)-2-[2-(2-thienyl)indol-1-yl]acetamide
Descriptor: High affinity nerve growth factor receptor, ~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMM
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BU of 5kmm by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(1-naphthyl)urea
Descriptor: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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