3S2D
 
 | | RNA Polymerase II Initiation Complex with a 5-nt RNA containing a 5Br-U | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*AP*CP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | | Deposit date: | 2011-05-16 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Initiation complex structure and promoter proofreading.
Science, 333, 2011
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3S1Q
 | | RNA Polymerase II Initiation Complex with a 5-nt 3'-deoxy RNA soaked with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | | Deposit date: | 2011-05-16 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Initiation complex structure and promoter proofreading.
Science, 333, 2011
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5VDI
 | | Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q 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, GLYCINE, ... | | 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 (3.1 Å) | | Cite: | Crystal Structures of Human GlyR alpha 3 Bound to Ivermectin.
Structure, 25, 2017
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3S17
 | | RNA Polymerase II Initiation Complex with a 9-nt RNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | | Deposit date: | 2011-05-14 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Initiation complex structure and promoter proofreading.
Science, 333, 2011
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3S15
 | | RNA Polymerase II Initiation Complex with a 7-nt RNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | | Deposit date: | 2011-05-14 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Initiation complex structure and promoter proofreading.
Science, 333, 2011
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3S2H
 | | RNA Polymerase II Initiation Complex with a 6-nt RNA containing a 2[prime]-iodo ATP | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | | Deposit date: | 2011-05-16 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Initiation complex structure and promoter proofreading.
Science, 333, 2011
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3S1M
 | | RNA Polymerase II Initiation Complex with a 5-nt RNA (variant 1) | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*AP*TP*AP*AP*GP*CP*AP*GP*AP*CP*GP*AP*TP*CP*GP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Liu, X, Bushnell, D.A, Silva, D.A, Huang, X, Kornberg, R.D. | | Deposit date: | 2011-05-15 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Initiation complex structure and promoter proofreading.
Science, 333, 2011
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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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6WJH
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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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1Y9H
 | | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 2004-12-15 | | Release date: | 2005-03-22 | | Last modified: | 2024-04-24 | | Method: | SOLUTION NMR | | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement.
J.Mol.Biol., 346, 2005
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1T36
 | | Crystal structure of E. coli carbamoyl phosphate synthetase small subunit mutant C248D complexed with uridine 5'-monophosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbamoyl-phosphate synthase large chain, ... | | Authors: | Thoden, J.B, Huang, X, Raushel, F.M, Holden, H.M. | | Deposit date: | 2004-04-24 | | Release date: | 2004-09-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Long-range allosteric transitions in carbamoyl phosphate synthetase.
Protein Sci., 13, 2004
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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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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 | | Method: | ELECTRON MICROSCOPY (4.16 Å) | | Cite: | The pan-RAF-MEK non degrading 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, 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 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | The pan-RAF-MEK non degrading 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, 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 | | Method: | ELECTRON MICROSCOPY (4.36 Å) | | Cite: | The pan-RAF-MEK non degrading 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, 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 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The pan-RAF-MEK non degrading 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, 2024
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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 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The pan-RAF-MEK non degrading 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, 2024
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9AXM
 | | Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ... | | Authors: | Quade, B, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The pan-RAF-MEK non degrading 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, 2024
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5J97
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9AXY
 | | Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF | | 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: | 2024-03-06 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The pan-RAF-MEK non degrading 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, 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 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The pan-RAF-MEK non degrading 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, 2024
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6UGL
 | | VqmA bound to DPO | | Descriptor: | 3,5-dimethylpyrazin-2(1H)-one, Helix-turn-helix transcriptional regulator | | Authors: | Paczkowski, J.E, Huang, X. | | Deposit date: | 2019-09-26 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanism underlying autoinducer recognition in theVibrio choleraeDPO-VqmA quorum-sensing pathway.
J.Biol.Chem., 295, 2020
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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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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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