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5OX5
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BU of 5ox5 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound
分子名称: (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Thinnes, C.C, Schofield, C.J.
登録日2017-09-06
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
4WWN
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BU of 4wwn by Molmil
Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor
分子名称: N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4WWO
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BU of 4wwo by Molmil
Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
分子名称: N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
3KU0
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BU of 3ku0 by Molmil
Structure of GAP31 with adenine at its binding pocket
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin
著者Kong, X.-P.
登録日2009-11-26
公開日2010-01-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
6LIS
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BU of 6lis by Molmil
ASFV dUTPase in complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R
著者Liang, R, Peng, G.Q.
登録日2019-12-12
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJ3
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BU of 6lj3 by Molmil
full length ASFV dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, E165R, MAGNESIUM ION
著者Liang, R, Peng, G.Q.
登録日2019-12-13
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJO
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BU of 6ljo by Molmil
African swine fever virus dUTPase
分子名称: E165R
著者Liang, R, Peng, G.Q.
登録日2019-12-17
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6MC4
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BU of 6mc4 by Molmil
Crystal structure of a tetrameric DNA fold-back quadruplex
分子名称: CALCIUM ION, DNA (5'-D(*CP*GP*TP*CP*AP*GP*GP*CP*G)-3'), POTASSIUM ION
著者Chu, B, Paukstelis, P.J.
登録日2018-08-30
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of a Tetrameric DNA Fold-Back Quadruplex.
J. Am. Chem. Soc., 140, 2018
6M79
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BU of 6m79 by Molmil
Cryo-EM structure of Arabidopsis CRY under blue light-mediated activation
分子名称: ADENOSINE MONOPHOSPHATE, Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE
著者Ma, L, Guan, Z.Y, Yin, P.
登録日2020-03-18
公開日2020-10-14
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the photoactivation of Arabidopsis CRY2.
Nat.Plants, 6, 2020
7XF3
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BU of 7xf3 by Molmil
The structure of HLA-B*1501/BM58-66AF9
分子名称: 9-mer peptide from Matrix protein 1, Beta-2-microglobulin, MHC class I antigen
著者Zhao, Y.Z, Xiao, W.L, Wu, Y.N, Fan, W.F, Yue, C, Zhang, Q.X, Zhang, D.N, Yuan, X.J, Yao, S.J, Liu, S, Li, M, Wang, P.Y, Zhang, H.J, Zhang, J, Zhao, M, Zheng, X.Q, Liu, W.J, Gao, G.F, Liu, W.L.
登録日2022-03-31
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Parallel T Cell Immunogenic Regions in Influenza B and A Viruses with Distinct Nuclear Export Signal Functions: The Balance between Viral Life Cycle and Immune Escape.
J Immunol., 210, 2023
5XKX
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BU of 5xkx by Molmil
Crystal structure of WT DddY
分子名称: ACETATE ION, Uncharacterized protein, ZINC ION
著者Li, C.Y, Zhang, Y.Z.
登録日2017-05-10
公開日2017-11-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017
5Y4K
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BU of 5y4k by Molmil
Crystal structure of DddY mutant Y260A
分子名称: ACRYLIC ACID, DMSP lyase DddY, ZINC ION
著者Zhang, Y.Z, Li, C.Y.
登録日2017-08-03
公開日2017-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017
5XKY
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BU of 5xky by Molmil
Crystal structure of DddY Se derivative
分子名称: Uncharacterized protein, ZINC ION
著者Li, C.Y, Zhang, Y.Z.
登録日2017-05-10
公開日2017-11-01
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
分子名称: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
著者Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
登録日2024-04-25
公開日2024-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Potency-Enhanced Peptidomimetic VHL Ligands with Improved Oral Bioavailability.
J.Med.Chem., 67, 2024
9BOL
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BU of 9bol by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
分子名称: (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
登録日2024-05-03
公開日2024-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Potency-Enhanced Peptidomimetic VHL Ligands with Improved Oral Bioavailability.
J.Med.Chem., 67, 2024
8Z9Z
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BU of 8z9z by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
著者Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
登録日2024-04-24
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
著者Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
登録日2024-04-23
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
6PTJ
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BU of 6ptj by Molmil
Structure of Ctf4 trimer in complex with one CMG helicase
分子名称: Cell division control protein 45, DNA polymerase alpha-binding protein, DNA replication complex GINS protein PSF1, ...
著者Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
登録日2019-07-15
公開日2019-11-20
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019
6PTO
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BU of 6pto by Molmil
Structure of Ctf4 trimer in complex with three CMG helicases
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ...
著者Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
登録日2019-07-16
公開日2019-11-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019
6PTN
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BU of 6ptn by Molmil
Structure of Ctf4 trimer in complex with two CMG helicases
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ...
著者Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
登録日2019-07-16
公開日2019-11-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019
8E7O
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BU of 8e7o by Molmil
CRYSTAL STRUCTURE OF LYS48-LINKED TETRAUBIQUITIN
分子名称: SULFATE ION, Ubiquitin
著者Lemma, B.E, Fushman, D.
登録日2022-08-24
公開日2022-11-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation.
Nat Commun, 14, 2023
5YGU
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BU of 5ygu by Molmil
Crystal structure of Escherichia coli (strain K12) mRNA Decapping Complex RppH-DapF
分子名称: Diaminopimelate epimerase, IODIDE ION, L(+)-TARTARIC ACID, ...
著者Wang, Q, Guan, Z.Y, Zhang, D.L, Zou, T.T, Yin, P.
登録日2017-09-27
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献DapF stabilizes the substrate-favoring conformation of RppH to stimulate its RNA-pyrophosphohydrolase activity in Escherichia coli.
Nucleic Acids Res., 46, 2018
6JJB
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BU of 6jjb by Molmil
BRD4 in complex with ZZM1
分子名称: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
5YZV
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BU of 5yzv by Molmil
Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA
分子名称: Probable serine/threonine-protein kinase PkwA
著者Li, D.Y, Shen, C, Du, Y, Qiao, F.F, Kong, T, Yuan, L.R, Zhang, D.L, Wu, X.H, Wu, Y.D.
登録日2017-12-15
公開日2018-10-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA
Sci Rep, 8, 2018
6JJ3
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BRD4 in complex with 138A
分子名称: 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019

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