7DBB
 
 | | SSE in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide, CALCIUM ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | SSE in complex with tubulin
To Be Published
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7DB9
 | | IC1 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CALCIUM ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.845 Å) | | Cite: | IC1 in complex with tubulin
To Be Published
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7DBD
 | | 444 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.094 Å) | | Cite: | 444 in complex with tubulin
To Be Published
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5X33
 | | Leukotriene B4 receptor BLT1 in complex with BIIL260 | | Descriptor: | 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide, LTB4 receptor,Lysozyme,LTB4 receptor | | Authors: | Hori, T, Hirata, K, Yamashita, K, Kawano, Y, Yamamoto, M, Yokoyama, S. | | Deposit date: | 2017-02-03 | | Release date: | 2018-01-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Na+-mimicking ligands stabilize the inactive state of leukotriene B4receptor BLT1.
Nat. Chem. Biol., 14, 2018
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7DAE
 | | EPB in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, CALCIUM ION, ... | | Authors: | Wu, C, Wang, Y. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
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7DAF
 | | IXA in complex with tubulin | | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wu, C, Wang, Y. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
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4W9P
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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4W9Q
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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7D73
 | | Cryo-EM structure of GMPPA/GMPPB complex bound to GTP (State I) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-TRIPHOSPHATE, Mannose-1-phosphate guanyltransferase alpha, ... | | Authors: | Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, Cai, X, Mo, X, Gao, N, Jia, D. | | Deposit date: | 2020-10-02 | | Release date: | 2021-05-05 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis.
Nat.Struct.Mol.Biol., 28, 2021
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7D74
 | | Cryo-EM structure of GMPPA/GMPPB complex bound to GTP (state II) | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Mannose-1-phosphate guanyltransferase alpha, Mannose-1-phosphate guanyltransferase beta | | Authors: | Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, cai, X, Mo, X, Gao, N, Jia, D. | | Deposit date: | 2020-10-02 | | Release date: | 2021-05-19 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis.
Nat.Struct.Mol.Biol., 28, 2021
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7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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6EEI
 | | Crystal structure of Arabidopsis thaliana phenylacetaldehyde synthase in complex with L-phenylalanine | | Descriptor: | PHENYLALANINE, SULFATE ION, Tyrosine decarboxylase 1 | | Authors: | Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K. | | Deposit date: | 2018-08-14 | | Release date: | 2018-09-19 | | Last modified: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (1.99001348 Å) | | Cite: | Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6EEW
 | | Crystal structure of Catharanthus roseus tryptophan decarboxylase in complex with L-tryptophan | | Descriptor: | Aromatic-L-amino-acid decarboxylase, CALCIUM ION, TRYPTOPHAN | | Authors: | Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K. | | Deposit date: | 2018-08-15 | | Release date: | 2018-09-19 | | Last modified: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (2.05002069 Å) | | Cite: | Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8EF5
 | | Fentanyl-bound mu-opioid receptor-Gi complex | | Descriptor: | CHOLESTEROL, 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: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EF6
 | | Morphine-bound mu-opioid receptor-Gi complex | | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFO
 | | PZM21-bound mu-opioid receptor-Gi complex | | Descriptor: | CHOLESTEROL, 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: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFL
 | | SR17018-bound mu-opioid receptor-Gi complex | | Descriptor: | 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFB
 | | Oliceridine-bound mu-opioid receptor-Gi complex | | 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(i) subunit alpha-1, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFQ
 | | DAMGO-bound mu-opioid receptor-Gi complex | | Descriptor: | DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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7DSZ
 | | Crystal structure of Amuc_1102 from Akkermansia muciniphila | | Descriptor: | Amuc_1102, CHLORIDE ION | | Authors: | Xiang, R, Wang, J, Wang, Y, Zhang, M, Wang, M. | | Deposit date: | 2021-01-04 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Amuc_1102 fromAkkermansia muciniphilaadopts animmunoglobulin-like fold related to archaeal type IV pilus
Biochem.Biophys.Res.Commun., 547, 2021
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6M0W
 | | Crystal structure of Streptococcus thermophilus Cas9 in complex with the AGAA PAM | | Descriptor: | CRISPR-associated endonuclease Cas9 1, DNA (28-MER), DNA (5'-D(*AP*AP*AP*GP*AP*AP*GP*C)-3'), ... | | Authors: | Zhang, Y, Zhang, H, Xu, X, Wang, Y, Chen, W, Wang, Y, Wu, Z, Tang, N, Wang, Y, Zhao, S, Gan, J, Ji, Q. | | Deposit date: | 2020-02-23 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Catalytic-state structure and engineering of Streptococcus thermophilus Cas9
Nat Catal, 2020
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6M0X
 | | Crystal structure of Streptococcus thermophilus Cas9 in complex with AGGA PAM | | Descriptor: | BARIUM ION, CRISPR-associated endonuclease Cas9 1, DNA (28-MER), ... | | Authors: | Zhang, Y, Zhang, H, Xu, X, Wang, Y, Chen, W, Wang, Y, Wu, Z, Tang, N, Wang, Y, Zhao, S, Gan, J, Ji, Q. | | Deposit date: | 2020-02-23 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.561 Å) | | Cite: | Catalytic-state structure and engineering of Streptococcus thermophilus Cas9
Nat Catal, 2020
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6M0V
 | | Crsytal structure of streptococcus thermophilus Cas9 in complex with the GGAA PAM | | Descriptor: | BARIUM ION, CRISPR-associated endonuclease Cas9 1, DNA (28-MER), ... | | Authors: | Zhang, Y, Zhang, H, Xu, X, Wang, Y, Chen, W, Wang, Y, Wu, Z, Tang, N, Wang, Y, Zhao, S, Gan, J, Ji, Q. | | Deposit date: | 2020-02-22 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Catalytic-state structure and engineering of Streptococcus thermophilus Cas9
Nat Catal, 2020
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