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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7WFW
 | | Apo human Nav1.8 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | | Deposit date: | 2021-12-27 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WEL
 | | Human Nav1.8 with A-803467, class II | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | | Deposit date: | 2021-12-23 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WFR
 | | Human Nav1.8 with A-803467, class III | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | | Deposit date: | 2021-12-27 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6C45
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1XC9
 | | Structure of a high-fidelity polymerase bound to a benzo[a]pyrene adduct that blocks replication | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA polymerase I, DNA primer strand, ... | | Authors: | Hsu, G.W, Huang, X, Luneva, N.P, Geacintov, N.E, Beese, L.S. | | Deposit date: | 2004-09-01 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a High Fidelity DNA Polymerase Bound to a Benzo[a]pyrene Adduct That Blocks Replication
J.Biol.Chem., 280, 2005
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8KDC
 | | Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in monomeric form | | Descriptor: | MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ... | | Authors: | Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for dimerization of a paramyxovirus polymerase complex.
Nat Commun, 15, 2024
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8KDB
 | | Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in dimeric form | | Descriptor: | MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ... | | Authors: | Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for dimerization of a paramyxovirus polymerase complex.
Nat Commun, 15, 2024
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1MAW
 | | Crystal Structure of Tryptophanyl-tRNA Synthetase Complexed with ATP in an Open Conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, TRYPTOPHAN-TRNA LIGASE | | Authors: | Retailleau, P, Huang, X, Yin, Y, Hu, M, Weinreb, V, Vachette, P, Vonrhein, C, Bricogne, G, Roversi, P, Ilyin, V, Carter Jr, C.W. | | Deposit date: | 2002-08-02 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations.
J.Mol.Biol., 325, 2003
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6BQG
 | | Crystal structure of 5-HT2C in complex with ergotamine | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine | | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
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5DQC
 | | Co-crystal of BACE1 with compound 0211 | | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-17 | | Last modified: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.4651 Å) | | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
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6BQH
 | | Crystal structure of 5-HT2C in complex with ritanserin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ... | | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
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9AXC
 | | Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | | Authors: | Quade, B, Cohen, S.E, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.16 Å) | | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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9AXA
 | | CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 | | Descriptor: | 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ... | | Authors: | Quade, B, Cohen, S.E, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.36 Å) | | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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6BK4
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1MB2
 | | Crystal Structure of Tryptophanyl-tRNA Synthetase Complexed with Tryptophan in an Open Conformation | | Descriptor: | TRYPTOPHAN, TRYPTOPHAN-TRNA LIGASE | | Authors: | Retailleau, P, Huang, X, Yin, Y, Hu, M, Weinreb, V, Vachette, P, Vonrhein, C, Bricogne, G, Roversi, P, Ilyin, V, Carter Jr, C.W. | | Deposit date: | 2002-08-02 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations.
J.Mol.Biol., 325, 2003
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4IAR
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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5TIN
 | | Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607 | | Descriptor: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, CHLORIDE ION, GLYCINE, ... | | Authors: | Shaffer, P.L, Huang, X, Chen, H. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
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4NLH
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4OUH
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7TD0
 | | Lysophosphatidic acid receptor 1-Gi complex bound to LPA | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-09 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
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7TD2
 | | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-09 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
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6J8E
 | | Human Nav1.2-beta2-KIIIA ternary complex | | 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: | Pan, X, Li, Z, Huang, X, Huang, G, Yan, N. | | Deposit date: | 2019-01-18 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis for pore blockade of human Na+channel Nav1.2 by the mu-conotoxin KIIIA.
Science, 363, 2019
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5YEW
 | | Structural basis for GTP hydrolysis and conformational change of mitofusin 1 in mediating mitochondrial fusion | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Yan, L, Qi, Y, Huang, X, Yu, C. | | Deposit date: | 2017-09-20 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for GTP hydrolysis and conformational change of MFN1 in mediating membrane fusion
Nat. Struct. Mol. Biol., 25, 2018
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7TD3
 | | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-09 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
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