6UZ8
 
 | | Cryo-EM structure of human TRPC6 in complex with agonist AM-0883 | | Descriptor: | (5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone, 2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Bai, Y, Yu, X, Huang, X, Chen, H. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-18 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Structural basis for pharmacological modulation of the TRPC6 channel.
Elife, 9, 2020
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6UZA
 | | Cryo-EM structure of human TRPC6 in complex with antagonist AM-1473 | | Descriptor: | 2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, 4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Bai, Y, Yu, X, Huang, X, Chen, H. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-18 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural basis for pharmacological modulation of the TRPC6 channel.
Elife, 9, 2020
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4WT2
 | | Co-crystal Structure of MDM2 in Complex with AM-7209 | | Descriptor: | 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | | Deposit date: | 2014-10-30 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
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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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8X3S
 | | Crystal structure of human WDR5 in complex with PTEN | | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5 | | Authors: | Liu, Y, Huang, X, Shang, X. | | Deposit date: | 2023-11-14 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
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8X3R
 | | Crystal structure of human WDR5 in complex with WDR5 | | Descriptor: | WD repeat-containing protein 5 | | Authors: | Liu, Y, Huang, X. | | Deposit date: | 2023-11-14 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
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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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1C3O
 | | CRYSTAL STRUCTURE OF THE CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTANT C269S WITH BOUND GLUTAMINE | | 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: | 1999-07-28 | | Release date: | 1999-12-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The small subunit of carbamoyl phosphate synthetase: snapshots along the reaction pathway.
Biochemistry, 38, 1999
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1CS0
 | | Crystal structure of carbamoyl phosphate synthetase complexed at CYS269 in the small subunit with the tetrahedral mimic l-glutamate gamma-semialdehyde | | 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: | 1999-08-16 | | Release date: | 1999-12-10 | | Last modified: | 2019-11-20 | | 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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1KSW
 | | Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP | | Descriptor: | N6-BENZYL ADENOSINE-5'-DIPHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | Authors: | Witucki, L.A, Huang, X, Shah, K, Liu, Y, Kyin, S, Eck, M.J, Shokat, K.M. | | Deposit date: | 2002-01-14 | | Release date: | 2002-02-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mutant tyrosine kinases with unnatural nucleotide specificity retain the structure and phospho-acceptor specificity of the wild-type enzyme.
Chem.Biol., 9, 2002
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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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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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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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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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8V2F
 | | Crystal structure of IRAK4 kinase domain with compound 9 | | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024
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8V1O
 | | Crystal structure of IRAK4 kinase domain with compound 4 | | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-21 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024
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8V2L
 | | Crystal structure of IRAK4 kinase domain with compound 8 | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024
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6WJH
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4X3G
 | | Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide | | Descriptor: | E3 ubiquitin-protein ligase SIAH1, Ubiquitin carboxyl-terminal hydrolase 19, ZINC ION | | Authors: | Walker, J.R, Dong, A, Zhang, Q, Huang, X, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-11-28 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide
To be published
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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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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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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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4OGN
 | | Co-Crystal Structure of MDM2 with Inhbitor Compound 3 | | Descriptor: | 6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 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 (1.377 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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4OGT
 | | Co-Crystal Structure of MDM2 with Inhbitor Compound 46 | | Descriptor: | 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 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 (1.5361 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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