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PDB: 333 件
2OG8
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crystal structure of aminoquinazoline 36 bound to Lck
分子名称: N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-05
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
1EG3
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STRUCTURE OF A DYSTROPHIN WW DOMAIN FRAGMENT IN COMPLEX WITH A BETA-DYSTROGLYCAN PEPTIDE
分子名称: DYSTROPHIN
著者Huang, X, Poy, F, Zhang, R, Joachimiak, A, Sudol, M, Eck, M.J.
登録日2000-02-11
公開日2000-08-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a WW domain containing fragment of dystrophin in complex with beta-dystroglycan.
Nat.Struct.Biol., 7, 2000
4QOC
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crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2014-06-19
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
1EG4
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BU of 1eg4 by Molmil
STRUCTURE OF A DYSTROPHIN WW DOMAIN FRAGMENT IN COMPLEX WITH A BETA-DYSTROGLYCAN PEPTIDE
分子名称: BETA-DYSTROGLYCAN, DYSTROPHIN
著者Huang, X, Poy, F, Zhang, R, Joachimiak, A, Sudol, M, Eck, M.J.
登録日2000-02-11
公開日2000-08-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a WW domain containing fragment of dystrophin in complex with beta-dystroglycan.
Nat.Struct.Biol., 7, 2000
3O50
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BU of 3o50 by Molmil
Crystal structure of benzamide 9 bound to AuroraA
分子名称: N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
著者Huang, X.
登録日2010-07-27
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3O51
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Crystal structure of anthranilamide 10 bound to AuroraA
分子名称: N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
著者Huang, X.
登録日2010-07-27
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3GG5
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BU of 3gg5 by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: PHOSPHATE ION, SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L.
登録日2009-02-27
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
4HGS
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Crystal structure of ck1gs with compound 13
分子名称: 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3
著者Huang, X.
登録日2012-10-08
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of ck1gs with compound 13
Acs Med.Chem.Lett
6LTR
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BU of 6ltr by Molmil
Crystal structure of Cas12i2 ternary complex with single Mg2+ bound in catalytic pocket
分子名称: 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ...
著者Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
登録日2020-01-23
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
6LU0
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Crystal structure of Cas12i2 ternary complex with 12 nt spacer
分子名称: Cas12i2, DNA (5'-D(*GP*CP*CP*GP*CP*TP*TP*TP*CP*TP*T)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*CP*TP*CP*TP*GP*TP*TP*GP*AP*AP*AP*GP*CP*GP*GP*C)-3'), ...
著者Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
登録日2020-01-24
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
6LTU
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Crystal structure of Cas12i2 ternary complex with double Mg2+ bound in catalytic pocket
分子名称: 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ...
著者Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
登録日2020-01-23
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
分子名称: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
著者Huang, X.
登録日2011-02-16
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
分子名称: 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
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4G16
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BU of 4g16 by Molmil
Crystal structure of ck1g3 with 2-[(4-{[3-(TRIFLUOROMETHYL)PYRIDIN2-YL]OXY}PHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE
分子名称: 2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1H-benzimidazole-6-carbonitrile, Casein kinase I isoform gamma-3
著者Huang, X.
登録日2012-07-10
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1g)inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
4G17
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BU of 4g17 by Molmil
Crystal structure of ck1g3 with 2-[(4-TERT-BUTYLPHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE
分子名称: 2-[(4-tert-butylphenyl)amino]-1H-benzimidazole-6-carbonitrile, Casein kinase I isoform gamma-3
著者Huang, X.
登録日2012-07-10
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1g)inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
2R8U
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BU of 2r8u by Molmil
Structure of fragment of human end-binding protein 1 (EB1) containing the N-terminal domain at 1.35 A resolution
分子名称: MOLYBDATE ION, Microtubule-associated protein RP/EB family member 1
著者Huang, X, Lovelace, L.L, Smith, D, Lebioda, L.
登録日2007-09-11
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of fragment of human end-binding protein 1 (EB1) containing the N-terminal domain at 1.35 A resolution
To be Published
3EBU
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BU of 3ebu by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-08-28
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3EJL
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BU of 3ejl by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-09-18
公開日2010-03-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3JZK
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BU of 3jzk by Molmil
crystal structure of MDM2 with chromenotriazolopyrimidine 1
分子名称: (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
著者Huang, X.
登録日2009-09-23
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
6LTP
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BU of 6ltp by Molmil
Crystal structure of Cas12i2 binary complex
分子名称: Cas12i2, crRNA (56-mer RNA)
著者Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
登録日2020-01-23
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
7VM8
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BU of 7vm8 by Molmil
Crystal structure of the MtDMI1 gating ring
分子名称: Ion channel DMI1
著者Huang, X, Zhang, P.
登録日2021-10-08
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.034 Å)
主引用文献Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VOO
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BU of 7voo by Molmil
Induced alpha-2-macroglobulin monomer
分子名称: 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, ...
著者Huang, X, Wang, Y, Ping, Z.
登録日2021-10-14
公開日2022-10-19
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor.
Sci China Life Sci, 65, 2022
7VON
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Native alpha-2-macroglobulin monomer
分子名称: Alpha-2-macroglobulin
著者Huang, X, Wang, Y.
登録日2021-10-14
公開日2022-11-16
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor.
Sci China Life Sci, 65, 2022
4HBM
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BU of 4hbm by Molmil
Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-09-28
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012

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