3VTP
 
 | | HIV fusion inhibitor MT-C34 | | Descriptor: | Transmembrane protein gp41 | | Authors: | Yao, X, Waltersperger, S, Wang, M, Cui, S. | | Deposit date: | 2012-06-02 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The M-T hook structure is critical for design of HIV-1 fusion inhibitors.
J.Biol.Chem., 287, 2012
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3VGX
 | | Structure of gp41 T21/Cp621-652 | | Descriptor: | ACETIC ACID, Envelope glycoprotein gp160, GLYCEROL | | Authors: | Yao, X, Waltersperger, S, Wang, M, Cui, S. | | Deposit date: | 2011-08-22 | | Release date: | 2012-04-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of critical residues for viral entry and inhibition through structural Insight of HIV-1 fusion inhibitor CP621-652.
J.Biol.Chem., 287, 2012
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3VU5
 | | Short peptide HIV entry Inhibitor SC22EK | | Descriptor: | AMMONIUM ION, SC22, SULFATE ION, ... | | Authors: | Yao, X, Chong, H.H, Waltersperger, S, Wang, M.T, He, Y.X, Cui, S. | | Deposit date: | 2012-06-19 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.087 Å) | | Cite: | Short-peptide fusion inhibitors with high potency against wild-type and enfuvirtide-resistant HIV-1
Faseb J., 27, 2013
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3VU6
 | | Short peptide HIV entry inhibitor MT-SC22EK with a M-T hook | | Descriptor: | MTSC22, SULFATE ION, Transmembrane protein gp41 | | Authors: | Yao, X, Chong, H.H, Waltersperger, S, Wang, M.T, He, Y.X, Cui, S. | | Deposit date: | 2012-06-19 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.324 Å) | | Cite: | Short-peptide fusion inhibitors with high potency against wild-type and enfuvirtide-resistant HIV-1
Faseb J., 27, 2013
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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1SI5
 | | Protease-like domain from 2-chain hepatocyte growth factor | | Descriptor: | hepatocyte growth factor | | Authors: | Kirchhofer, D, Yao, X, Peek, M, Eigenbrot, C, Lipari, M.T, Billeci, K.L, Maun, H.R, Moran, P, Santell, L, Lazarus, R.A. | | Deposit date: | 2004-02-27 | | Release date: | 2004-12-28 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural and functional basis of the serine protease-like hepatocyte growth factor beta-chain in Met binding and signaling
J.Biol.Chem., 279, 2004
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1G03
 | | NMR STRUCTURE OF N-TERMINAL DOMAIN OF HTLV-I CA1-134 | | Descriptor: | HTLV-I CAPSID PROTEIN | | Authors: | Cornilescu, C.C, Bouamr, F, Yao, X, Carter, C, Tjandra, N. | | Deposit date: | 2000-10-05 | | Release date: | 2001-03-21 | | Last modified: | 2016-04-06 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of the N-terminal domain of the human T-cell leukemia virus capsid protein.
J.Mol.Biol., 306, 2001
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8WE9
 | | Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Fan, X, Yan, N. | | Deposit date: | 2023-09-17 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
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8WEA
 | | Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Fan, X, Yan, N. | | Deposit date: | 2023-09-17 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
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8WE7
 | | Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2023-09-17 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
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8WE6
 | | Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2023-09-17 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
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8WE8
 | | Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2023-09-17 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
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7MIY
 | | Human N-type voltage-gated calcium channel Cav2.2 at 3.1 Angstrom resolution | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Gao, S, Yao, X. | | Deposit date: | 2021-04-18 | | Release date: | 2021-07-07 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of human Ca v 2.2 channel blocked by the painkiller ziconotide.
Nature, 596, 2021
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7MIX
 | | Human N-type voltage-gated calcium channel Cav2.2 in the presence of ziconotide at 3.0 Angstrom resolution | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Gao, S, Yao, X. | | Deposit date: | 2021-04-18 | | Release date: | 2021-07-07 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of human Ca v 2.2 channel blocked by the painkiller ziconotide.
Nature, 596, 2021
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3AQQ
 | | Crystal structure of human CRHSP-24 | | Descriptor: | Calcium-regulated heat stable protein 1 | | Authors: | Hou, H, Wang, F, Zhang, W, Wang, D, Li, X, Bartlam, M, Yao, X, Rao, Z. | | Deposit date: | 2010-11-17 | | Release date: | 2010-12-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.798 Å) | | Cite: | CRHSP-24 is a novel cargo adaptor trafficking between stress granules and processing bodies
To be Published
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3QZR
 | | Human enterovirus 71 3C protease mutant E71A in complex with rupintrivir | | Descriptor: | 1,2-ETHANEDIOL, 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S. | | Deposit date: | 2011-03-07 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.039 Å) | | Cite: | Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
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3QZQ
 | | Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir | | Descriptor: | 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S. | | Deposit date: | 2011-03-07 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7001 Å) | | Cite: | Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
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3R0F
 | | Human enterovirus 71 3C protease mutant H133G in complex with rupintrivir | | Descriptor: | 1,2-ETHANEDIOL, 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S. | | Deposit date: | 2011-03-08 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3083 Å) | | Cite: | Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
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8FHS
 | | Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-12-15 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
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6JKM
 | | Crystal structure of BubR1 kinase domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
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6JKK
 | | Crystal structure of BubR1 kinase domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1 | | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
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3R45
 | | Structure of a CENP-A-Histone H4 Heterodimer in complex with chaperone HJURP | | Descriptor: | GLYCEROL, Histone H3-like centromeric protein A, Histone H4, ... | | Authors: | Hu, H, Liu, Y, Wang, M, Fang, J, Huang, H, Yang, N, Li, Y, Wang, J, Yao, X, Shi, Y, Li, G, Xu, R.M. | | Deposit date: | 2011-03-17 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of a CENP-A-histone H4 heterodimer in complex with chaperone HJURP
Genes Dev., 25, 2011
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5HIN
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Huang, J, Wu, D, Lu, Q, Yao, X. | | Deposit date: | 2016-01-12 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L at 1.60 A resolution
To Be Published
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5JJD
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4HHV
 | | Crystal structure of ceramide transfer protein pleckstrin homology domain | | Descriptor: | ACETATE ION, CHLORIDE ION, Collagen type IV alpha-3-binding protein, ... | | Authors: | Prashek, J, Truong, T, Yao, X. | | Deposit date: | 2012-10-10 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Pleckstrin Homology Domain from the Ceramide Transfer Protein: Implications for Conformational Change upon Ligand Binding.
Plos One, 8, 2013
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