8T6U
| Cryo-EM structure of human Anion Exchanger 1 bound to Dipyridamole | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2023-06-18 | Release date: | 2023-09-13 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
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8T6V
| Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatostilbene-2,2'-Disulfonic Acid (DIDS) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ... | Authors: | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2023-06-18 | Release date: | 2023-09-13 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
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6AL6
| Crystal structure HpiC1 in P42 space group | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6AL8
| Crystal structure HpiC1 Y101F/F138S | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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8GUB
| Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GUD
| Cryo-EM structure of cancer-specific PI3Kalpha mutant E545K in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GUA
| Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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5JVV
| Crystal structure and characterization an elongating GH family 16 beta-1,3-glucosyltransferase | Descriptor: | beta-1,3-glucosyltransferase | Authors: | Qin, Z, Yan, Q, Yang, S, Jiang, Z. | Deposit date: | 2016-05-11 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Catalytic Mechanism of a Novel Glycoside Hydrolase Family 16 "Elongating" beta-Transglycosylase J. Biol. Chem., 292, 2017
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3ECN
| Crystal structure of PDE8A catalytic domain in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | Deposit date: | 2008-09-01 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
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3ECM
| Crystal structure of the unliganded PDE8A catalytic domain | Descriptor: | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ZINC ION | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | Deposit date: | 2008-09-01 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
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3EDZ
| Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | Descriptor: | ADAM 17, CITRIC ACID, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Mazzola, R.D, Zhu, Z, Sinning, L, McKittrick, B, Lavey, B, Spitler, J, Kozlowski, J, Neng-Yang, S, Zhou, G, Guo, Z, Orth, P, Madison, V, Sun, J, Lundell, D, Niu, X. | Deposit date: | 2008-09-03 | Release date: | 2008-09-23 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket. Bioorg.Med.Chem.Lett., 18, 2008
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3JBM
| Electron cryo-microscopy of a virus-like particle of orange-spotted grouper nervous necrosis virus | Descriptor: | virus-like particle of orange-spotted grouper nervous necrosis virus | Authors: | Xie, J, Li, K, Gao, Y, Huang, R, Lai, Y, Shi, Y, Yang, S, Zhu, G, Zhang, Q, He, J. | Deposit date: | 2015-09-06 | Release date: | 2016-10-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural analysis and insertion study reveal the ideal sites for surface displaying foreign peptides on a betanodavirus-like particle Vet. Res., 47, 2016
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5WPR
| Crystal structure HpiC1 in C2 space group | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPP
| Crystal structure HpiC1 W73M/K132M | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPU
| Crystal structure HpiC1 Y101S | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPS
| Crystal structure HpiC1 Y101F | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6UZT
| Crystal Structure of RPTP alpha | Descriptor: | Receptor-type tyrosine-protein phosphatase alpha | Authors: | Santelli, E, Wen, Y, Yang, S, Svensson, M.N.D, Stanford, S.M, Bottini, N. | Deposit date: | 2019-11-15 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RPTP alpha phosphatase activity is allosterically regulated by the membrane-distal catalytic domain. J.Biol.Chem., 295, 2020
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4GQH
| The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies | Descriptor: | Capsid protein | Authors: | Li, X.Y, Song, B.A, Hu, D.Y, Chen, X, Wang, Z.C, Zeng, M.J, Yu, D.D, Chen, Z, Jin, L.H, Yang, S. | Deposit date: | 2012-08-23 | Release date: | 2013-08-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies To be Published
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3LLP
| 1.8 Angstrom human fascin 1 crystal structure | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, Fascin, ... | Authors: | Chen, L, Yang, S, Jakoncic, J, Zhang, J.J, Huang, X.-Y. | Deposit date: | 2010-01-29 | Release date: | 2010-04-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Migrastatin analogues target fascin to block tumour metastasis. Nature, 464, 2010
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1VYU
| Beta3 subunit of Voltage-gated Ca2+-channel | Descriptor: | CALCIUM CHANNEL BETA-3 SUBUNIT | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J. | Deposit date: | 2004-05-07 | Release date: | 2004-06-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels Nature, 429, 2004
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8ILR
| Cryo-EM structure of PI3Kalpha in complex with compound 16 | Descriptor: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILS
| Cryo-EM structure of PI3Kalpha in complex with compound 17 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILV
| Cryo-EM structure of PI3Kalpha in complex with compound 18 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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6AL7
| Crystal structure HpiC1 F138S | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.687 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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8HXB
| Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2 | Descriptor: | NFkB inhibitor, T-lymphocyte activation antigen CD86 | Authors: | Wang, Y, Yang, S, Zhao, H, Deng, Z. | Deposit date: | 2023-01-04 | Release date: | 2023-08-30 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2. Nat Commun, 14, 2023
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