7VOO
| Induced alpha-2-macroglobulin monomer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ... | Authors: | Huang, X, Wang, Y, Ping, Z. | Deposit date: | 2021-10-14 | Release date: | 2022-10-19 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor. Sci China Life Sci, 65, 2022
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7VON
| Native alpha-2-macroglobulin monomer | Descriptor: | Alpha-2-macroglobulin | Authors: | Huang, X, Wang, Y. | Deposit date: | 2021-10-14 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor. Sci China Life Sci, 65, 2022
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6M54
| Human apo ferritin frozen on TEM grid with Amorphous nickel titanium alloy supporting film | Descriptor: | FE (II) ION, Ferritin heavy chain | Authors: | Huang, X, Zhang, L, Wen, Z, Chen, H, Li, S, Ji, G, Yin, C, Sun, F. | Deposit date: | 2020-03-09 | Release date: | 2020-05-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Amorphous nickel titanium alloy film: A new choice for cryo electron microscopy sample preparation. Prog.Biophys.Mol.Biol., 156, 2020
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6M52
| Human apo ferritin frozen on TEM grid with amorphous carbon supporting film | Descriptor: | FE (II) ION, Ferritin heavy chain | Authors: | Huang, X, Zhang, L, Wen, Z, Chen, H, Li, S, Ji, G, Yin, C, Sun, F. | Deposit date: | 2020-03-09 | Release date: | 2020-05-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Amorphous nickel titanium alloy film: A new choice for cryo electron microscopy sample preparation. Prog.Biophys.Mol.Biol., 156, 2020
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3BYU
| co-crystal structure of Lck and aminopyrimidine reverse amide 23 | Descriptor: | 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J.Med.Chem., 51, 2008
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3BYO
| X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck | Descriptor: | 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008
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3BPR
| Crystal structure of catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor C52 | Descriptor: | 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase MER, ... | Authors: | Walker, J.R, Huang, X, Finerty Jr, P.J, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-19 | Release date: | 2008-01-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the inhibited states of the Mer receptor tyrosine kinase. J.Struct.Biol., 165, 2009
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3JZK
| crystal structure of MDM2 with chromenotriazolopyrimidine 1 | Descriptor: | (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, E3 ubiquitin-protein ligase Mdm2 | Authors: | Huang, X. | Deposit date: | 2009-09-23 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction. J.Med.Chem., 52, 2009
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4DVI
| Crystal structure of Tankyrase 1 with IWR2 | Descriptor: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2012-02-23 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel binding mode of a potent and selective tankyrase inhibitor. Plos One, 7, 2012
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5TIO
| Crystal Structure of Human Glycine Receptor alpha-3 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, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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 (3.25 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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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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3BYS
| co-crystal structure of Lck and aminopyrimidine amide 10b | Descriptor: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J.Med.Chem., 51, 2008
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3B2W
| Crystal structure of pyrimidine amide 11 bound to Lck | Descriptor: | N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-10-19 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR. Bioorg.Med.Chem.Lett., 18, 2008
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3BYM
| X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck | Descriptor: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008
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6O6F
| Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OQD
| Crystal structure of Mcl1 with inhibitor 8 | Descriptor: | (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OQN
| Crystal structure of Mcl1 with inhibitor 7 | Descriptor: | (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OQB
| Co-crystal structure of Mcl1 with inhibitor 10 | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6O6G
| Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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3BRB
| Crystal structure of catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Walker, J.R, Huang, X, Finerty Jr, P.J, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-21 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the inhibited states of the Mer receptor tyrosine kinase. J.Struct.Biol., 165, 2009
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4ERE
| crystal structure of MDM2 (17-111) in complex with compound 23 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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4OAS
| co-crystal structure of MDM2 (17-111) in complex with compound 25 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid | Authors: | Huang, X. | Deposit date: | 2014-01-06 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development. J.Med.Chem., 57, 2014
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3L9M
| Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | Descriptor: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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3L9N
| crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | Descriptor: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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6UD2
| co-crystal structure of compound 1 bound to human Mcl-1 | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-18 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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