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7WET
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BU of 7wet by Molmil
Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela
分子名称: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1
著者Zhang, H, Luo, C.
登録日2021-12-24
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
4L04
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BU of 4l04 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4KZO
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BU of 4kzo by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4L03
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BU of 4l03 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4L06
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BU of 4l06 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
5YIS
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BU of 5yis by Molmil
Crystal Structure of AnkB LIR/LC3B complex
分子名称: Ankyrin-2, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, ...
著者Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
登録日2017-10-06
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIQ
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BU of 5yiq by Molmil
Crystal structure of AnkG LIR/LC3B complex
分子名称: Ankyrin-3, Microtubule-associated proteins 1A/1B light chain 3B, ZINC ION
著者Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
登録日2017-10-06
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIR
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BU of 5yir by Molmil
Crystal Structure of AnkB LIR/GABARAP complex
分子名称: Ankyrin-2, Gamma-aminobutyric acid receptor-associated protein, NICKEL (II) ION
著者Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
登録日2017-10-06
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIP
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BU of 5yip by Molmil
Crystal Structure of AnkG LIR/GABARAPL1 complex
分子名称: Ankyrin-3, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1
著者Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
登録日2017-10-06
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
7XKE
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BU of 7xke by Molmil
Cryo-EM structure of DHEA-ADGRG2-FL-Gs complex
分子名称: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X.
登録日2022-04-19
公開日2022-08-10
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Nat.Chem.Biol., 18, 2022
7XKF
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BU of 7xkf by Molmil
Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex at lower state
分子名称: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X.
登録日2022-04-19
公開日2022-08-10
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Nat.Chem.Biol., 18, 2022
7XKD
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BU of 7xkd by Molmil
Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex
分子名称: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X.
登録日2022-04-19
公開日2022-08-10
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Nat.Chem.Biol., 18, 2022
7WPO
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BU of 7wpo by Molmil
Structure of NeoCOV RBD binding to Bat37 ACE2
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
登録日2022-01-24
公開日2022-11-30
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
7WPZ
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BU of 7wpz by Molmil
Structure of PDF-2180-COV RBD binding to Bat37 ACE2
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, Angiotensin-converting enzyme, ...
著者Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
登録日2022-01-24
公開日2022-11-30
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
5GTR
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BU of 5gtr by Molmil
estrogen receptor alpha in complex with a stabilized peptide antagonist 6
分子名称: ARG-IAS-ILE-0JY-DPP-ARG-0JY-0JY-GLN-NH2, ESTRADIOL, Estrogen receptor
著者Xie, M, Wang, T, Li, Z.-G.
登録日2016-08-23
公開日2017-08-30
最終更新日2017-12-20
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
5E74
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BU of 5e74 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
著者Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A.
登録日2015-10-11
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
5GS4
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BU of 5gs4 by Molmil
Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist
分子名称: ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ...
著者Xie, M, Wang, T, Li, Z.-G.
登録日2016-08-13
公開日2017-08-30
最終更新日2018-07-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
5XS5
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BU of 5xs5 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus procapsid particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5XS7
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BU of 5xs7 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5
分子名称: Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
登録日2017-06-12
公開日2017-09-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
8I3U
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BU of 8i3u by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ...
著者Li, Z, Yu, F, Cao, S.
登録日2023-01-18
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
2NO3
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BU of 2no3 by Molmil
Novel 4-anilinopyrimidines as potent JNK1 Inhibitors
分子名称: 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, Mitogen-activated protein kinase 8, ...
著者Abad-Zapatero, C.
登録日2006-10-24
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.
Bioorg.Med.Chem.Lett., 17, 2007
5XS4
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BU of 5xs4 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus A-particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
2OFU
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BU of 2ofu by Molmil
x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck
分子名称: 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Huang, X.
登録日2007-01-04
公開日2007-02-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity
J.Med.Chem., 49, 2006
2OFV
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BU of 2ofv by Molmil
crystal structure of aminoquinazoline 1 bound to Lck
分子名称: 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-04
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 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
2OBD
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BU of 2obd by Molmil
Crystal Structure of Cholesteryl Ester Transfer Protein
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Qiu, X.
登録日2006-12-18
公開日2007-01-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of cholesteryl ester transfer protein reveals a long tunnel and four bound lipid molecules.
Nat.Struct.Mol.Biol., 14, 2007

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