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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5WIV
 | | Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.143 Å) | | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
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5GNS
 | | Structures of human Mitofusin 1 provide insight into mitochondrial tethering | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Mitofusin-1 | | Authors: | Qi, Y, Yan, L, Yu, C, Guo, X, Zhou, X, Hu, X, Huang, X, Rao, Z, Lou, Z, Hu, J. | | Deposit date: | 2016-07-24 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Structures of human Mitofusin 1 provide insight into mitochondrial tethering
To Be Published
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9AXH
 | | Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Quade, B, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.81 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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9AY7
 | | Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Quade, B, Huang, X. | | Deposit date: | 2024-03-07 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.41 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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9AXX
 | | Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Quade, B, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.07 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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9AYA
 | | Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, 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, Huang, X. | | Deposit date: | 2024-03-07 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.59 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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7CMV
 | | Dopamine Receptor D3R-Gi-PD128907 complex | | Descriptor: | (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol, 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: | Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
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7CMU
 | | Dopamine Receptor D3R-Gi-Pramipexole complex | | Descriptor: | (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 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: | Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
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1M83
 | | Crystal Structure of Tryptophanyl-tRNA Synthetase Complexed with ATP in a Closed, Pre-transition State Conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 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: | 2002-07-24 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 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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1MAU
 | | Crystal structure of Tryptophanyl-tRNA Synthetase Complexed with ATP and Tryptophanamide in a Pre-Transition state Conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, GLYCEROL, ... | | 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 (2.15 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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6XAF
 | | 1.9A crystal structure of the GTPase domain of Parkinson's disease-associated protein LRRK2 carrying R1398H | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION | | Authors: | Hoang, Q.Q, Liao, J, Huang, X, Park, Y, Wu, C.X. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.968 Å) | | Cite: | Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2
To be Published
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1M6V
 | | Crystal Structure of the G359F (small subunit) Point Mutant of Carbamoyl Phosphate Synthetase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, L-ornithine, ... | | Authors: | Thoden, J.B, Huang, X, Raushel, F.M, Holden, H.M. | | Deposit date: | 2002-07-17 | | Release date: | 2002-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Carbamoyl-phosphate synthetase. Creation of an escape route for ammonia
J.Biol.Chem., 277, 2002
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3JCO
 | | Structure of yeast 26S proteasome in M1 state derived from Titan dataset | | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | | Authors: | Luan, B, Huang, X.L, Wu, J.P, Shi, Y.G, Wang, F. | | Deposit date: | 2016-01-06 | | Release date: | 2016-06-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of an endogenous yeast 26S proteasome reveals two major conformational states.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5VDH
 | | Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607, Glycine, and Ivermectin | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (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, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shaffer, P.L, Huang, X, Chen, H. | | Deposit date: | 2017-04-03 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structures of Human GlyR alpha 3 Bound to Ivermectin.
Structure, 25, 2017
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4OGV
 | | Co-Crystal Structure of MDM2 with Inhibitor Compound 49 | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | | Deposit date: | 2014-01-16 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
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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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4JKV
 | | Structure of the human smoothened 7TM receptor in complex with an antitumor agent | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, C, Wu, H, Katritch, V, Han, G.W, Huang, X, Liu, W, Siu, F.Y, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2013-03-11 | | Release date: | 2013-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the human smoothened receptor bound to an antitumour agent.
Nature, 497, 2013
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4ODE
 | | Co-Crystal Structure of MDM2 with Inhibitor Compound 4 | | Descriptor: | (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | | Deposit date: | 2014-01-10 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
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4N6H
 | | 1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ... | | Authors: | Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2013-10-12 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
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1C30
 | | CRYSTAL STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTATION C269S | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMOYL PHOSPHATE SYNTHETASE: LARGE SUBUNIT, CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT, ... | | Authors: | Thoden, J.B, Huang, X, Raushel, F.M, Holden, H.M. | | Deposit date: | 1999-07-24 | | Release date: | 1999-12-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The small subunit of carbamoyl phosphate synthetase: snapshots along the reaction pathway.
Biochemistry, 38, 1999
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6AGF
 | | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | | 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.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | | Deposit date: | 2018-08-11 | | Release date: | 2018-10-10 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
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3JB8
 | | Insight into Three-dimensional structure of Maize Chlorotic Mottle Virus Revealed by Single Particle Analysis | | Descriptor: | Coat protein | | Authors: | Wang, C.Y, Zhang, Q.F, Gao, Y.Z, Zhou, X.P, Ji, G, Huang, X.J, Hong, J, Zhang, C.X. | | Deposit date: | 2015-08-04 | | Release date: | 2016-07-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Insight into the three-dimensional structure of maize chlorotic mottle virus revealed by Cryo-EM single particle analysis.
Virology, 485, 2015
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4GPO
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3H5C
 | | X-Ray Structure of Protein Z-Protein Z Inhibitor Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein Z-dependent protease inhibitor, Vitamin K-dependent protein Z, ... | | Authors: | Dementiev, A.A, Huang, X, Olson, S.T, Gettins, P.G.W. | | Deposit date: | 2009-04-21 | | Release date: | 2010-04-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | Basis for the specificity and activation of the serpin protein Z-dependent proteinase inhibitor (ZPI) as an inhibitor of membrane-associated factor Xa.
J.Biol.Chem., 285, 2010
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