8FP1
 
 | | PKCeta kinase domain in complex with compound 2 | | Descriptor: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type | | Authors: | Johnson, E. | | Deposit date: | 2023-01-03 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-26 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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8FOW
 | | Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib | | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ... | | Authors: | Schonbrunn, E, Sun, L. | | Deposit date: | 2023-01-03 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
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8FP0
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8C47
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8FOB
 | | Cryo-EM structure of human TRPV6 in the open state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ... | | Authors: | Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I. | | Deposit date: | 2022-12-30 | | Release date: | 2023-05-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Structural mechanism of human oncochannel TRPV6 inhibition by the natural phytoestrogen genistein.
Nat Commun, 14, 2023
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8FOA
 | | Cryo-EM structure of human TRPV6 in complex with the natural phytoestrogen genistein | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I. | | Deposit date: | 2022-12-30 | | Release date: | 2023-05-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural mechanism of human oncochannel TRPV6 inhibition by the natural phytoestrogen genistein.
Nat Commun, 14, 2023
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8FO9
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8FO2
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8FO8
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8FO7
 | | Cryo-EM structure of LRRK2 bound to type I inhibitor LRRK2-IN-1 | | Descriptor: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | Authors: | Zhu, H, Sun, J. | | Deposit date: | 2022-12-29 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM.
Cell Discov, 10, 2024
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8HW4
 | | Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs | | Descriptor: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3 | | Authors: | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2022-12-28 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
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8HW2
 | | Cryo-EM structure of beta-estradiol 17-(beta-D-glucuronide)-bound human ABC transporter ABCC3 in nanodiscs | | Descriptor: | ATP-binding cassette sub-family C member 3, Estradiol-17beta-glucuronide | | Authors: | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2022-12-28 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
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8C3Q
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8C3R
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8FN9
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8FNI
 | | Cryo-EM structure of RNase-treated RESC-B in trypanosomal RNA editing | | Descriptor: | RNA-editing substrate-binding complex protein 10 (RESC10), RNA-editing substrate-binding complex protein 11 (RESC11), RNA-editing substrate-binding complex protein 13 (RESC13), ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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8FNK
 | | Cryo-EM structure of RNase-untreated RESC-B in trypanosomal RNA editing | | Descriptor: | RNA-editing substrate-binding complex protein 10 (RESC10), RNA-editing substrate-binding complex protein 11 (RESC11), RNA-editing substrate-binding complex protein 13 (RESC13), ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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8FN8
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8HVH
 | | Cryo-EM structure of ABC transporter ABCC3 | | Descriptor: | ATP-binding cassette sub-family C member 3 | | Authors: | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2022-12-26 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
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8FN0
 | | CryoEM structure of Go-coupled NTSR1 with a biased allosteric modulator | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, 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: | Krumm, B.E, DiBerto, J.F, Olsen, R.H.J, Kang, H, Slocum, S.T, Zhang, S, Strachan, R.T, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-12-26 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator.
Biochemistry, 62, 2023
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8FMZ
 | | Neurotensin receptor allosterism revealed in complex with a biased allosteric modulator | | 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, MiniGq, ... | | Authors: | Krumm, B.E, Diberto, J.F, Olsen, R.H.J, Kang, H, Slocum, S.T, Zhang, S, Strachan, R.T, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-12-26 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator.
Biochemistry, 62, 2023
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8FN1
 | | CryoEM structure of Go-coupled NTSR1 | | 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(o) subunit alpha, ... | | Authors: | Krumm, B.E, DiBerto, J.F, Olsen, R.H.J, Kang, H, Slocum, S.T, Zhang, S, Strachan, R.T, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-12-26 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator.
Biochemistry, 62, 2023
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8HVI
 | | Activation mechanism of GPR132 by compound NOX-6-7 | | Descriptor: | 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid, 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: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | Deposit date: | 2022-12-26 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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8FMV
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8C3G
 | | Crystal structure of DYRK1A in complex with AZ191 | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine, ... | | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | | Deposit date: | 2022-12-23 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural perspective on the design of selective DYRK1B inhibitors
To Be Published
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