7UEO
 
 | | PANK3 complex structure with compound PZ-3977 | | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UE5
 | | PANK3 complex structure with compound PZ-3741 | | Descriptor: | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UE4
 | | PANK3 complex structure with compound PZ-3855 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UE3
 | | PANK3 complex structure with compound PZ-3804 | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UEQ
 | | PANK3 complex structure with compound PZ-4061 | | Descriptor: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UE7
 | | PANK3 complex structure with compound PZ-3883 | | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7XR5
 | | Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 6-phosphogluconate dehydrogenase NAD-binding, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, J, Chen, R.C, Gao, S.S. | | Deposit date: | 2022-05-09 | | Release date: | 2022-10-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Actinomycetes-derived imine reductases with a preference towards bulky amine substrates.
Commun Chem, 5, 2022
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7XE8
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5WQ1
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7VWC
 | | Cryo-EM structure of human very long-chain fatty acid ABC transporter ABCD1 | | Descriptor: | Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] octadecanoate | | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2021-11-10 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
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7VZB
 | | Cryo-EM structure of C22:0-CoA bound human very long-chain fatty acid ABC transporter ABCD1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate | | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2021-11-15 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
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7VX8
 | | Cryo-EM structure of ATP-bound human very long-chain fatty acid ABC transporter ABCD1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1 | | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2021-11-12 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
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8Z9O
 | | Cryo-EM structure of human GPR4-Gs complex | | Descriptor: | CHOLESTEROL, G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Chen, L.N, Mao, C.Y, Cheng, S.Z, Liu, Y.F, Fu, Y.F, Ma, X.Y, Xu, P, Ji, S.Y, Wang, W.W, Shen, D.D, Zhang, H.B, Shen, Q.Y, Chai, R, Zhang, M, Yang, L, Han, F, Mao, C.Y, Cai, X.J, Zhang, Y. | | Deposit date: | 2024-04-23 | | Release date: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Cryo-EM structure of human GPR4-Gs complex
To Be Published
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8Z9P
 | | Cryo-EM structure of human GPR4-Gi complex | | Descriptor: | CHOLESTEROL, G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Chen, L.N, Zhou, H, Xi, K, Cheng, S.Z, Liu, Y.F, Fu, Y.F, Ma, X.Y, Xu, P, Ji, S.Y, Wang, W.W, Shen, D.D, Zhang, H.B, Shen, Q.Y, Chai, R, Zhang, M, Yang, L, Han, F, Mao, C.Y, Cai, X.J, Zhang, Y. | | Deposit date: | 2024-04-23 | | Release date: | 2025-07-09 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure of human GPR4-Gi complex
To Be Published
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9JH3
 | | CMF-019 with APLNR-Gi complex | | Descriptor: | (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Tian, X.W, Zhao, C, Feng, Y.Y, Shao, Z.H. | | Deposit date: | 2024-09-08 | | Release date: | 2025-04-23 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Multiscale biased chemical space remodeling for developing APLNR agonists with anti-HFpEF efficacy.
Proc.Natl.Acad.Sci.USA, 122, 2025
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