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6LJM
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BU of 6ljm by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13
分子名称: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ...
著者Chen, Q, Yu, Y.
登録日2019-12-17
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6LJN
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BU of 6ljn by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15
分子名称: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ...
著者Chen, Q, Yu, Y.
登録日2019-12-17
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6LJK
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BU of 6ljk by Molmil
Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF
分子名称: BE2-SER-ALA-ILE-LYS-SER-NIY-GLY-SET, GLUTARIC ACID, NAD-dependent protein deacylase sirtuin-5, ...
著者Chen, Q, Yu, Y.
登録日2019-12-17
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.394 Å)
主引用文献Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
7Y8L
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BU of 7y8l by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
分子名称: 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
登録日2022-06-24
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
4EIK
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BU of 4eik by Molmil
Crystal Structure of the Human Fyn SH3 domain in complex with the synthetic peptide VSL12
分子名称: SODIUM ION, Tyrosine-protein kinase Fyn, VSL12 peptide
著者Camara-Artigas, A.
登録日2012-04-05
公開日2013-04-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallization of and selenomethionine phasing strategy for a SETMAR-DNA complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
7BZC
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BU of 7bzc by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)
分子名称: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18
著者Li, J.X, Wang, G.D, Zhang, P.
登録日2020-04-27
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
7BZB
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BU of 7bzb by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18
分子名称: MAGNESIUM ION, PYROPHOSPHATE, Terpenoid synthase 18
著者Li, J.X, Wang, G.D, Zhang, P.
登録日2020-04-27
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
8W8X
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BU of 8w8x by Molmil
Cryo-EM structure of beta-MSH-MC3R-Gs_Nb35 complex
分子名称: Beta-MSH, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Chen, Q, Fu, J.
登録日2023-09-04
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure basis of ligand selectivity and signal transduction in human melanocortin-3 receptor
To Be Published
8W8Y
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BU of 8w8y by Molmil
Cryo-EM structure of gamma-MSH-MC3R-Gs_Nb35 complex
分子名称: CALCIUM ION, Gama-MSH, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Chen, Q, Fu, J.
登録日2023-09-04
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure basis of ligand selectivity and signal transduction in human melanocortin-3 receptor
To Be Published
8W8W
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BU of 8w8w by Molmil
Cryo-EM structure of alpha-MSH-MC3R-Gs_Nb35 complex
分子名称: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Chen, Q, Fu, J.
登録日2023-09-04
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure basis of ligand selectivity and signal transduction in human melanocortin-3 receptor
To Be Published
8KIG
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BU of 8kig by Molmil
Cryo-EM structure of MC3R in complex with SHU9119
分子名称: CALCIUM ION, SHU9119, Soluble cytochrome b562,Melanocortin receptor 3,GlgA glycogen synthase,Fusion protein
著者Chen, Q, Fu, J.
登録日2023-08-23
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure basis of ligand selectivity and signal transduction in human melanocortin-3 receptor
To Be Published
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
7N5U
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BU of 7n5u by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 21)
分子名称: DNA Strain II, DNA Strand I, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2022-06-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7N5W
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BU of 7n5w by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23)
分子名称: 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2022-06-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7N5V
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BU of 7n5v by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 20)
分子名称: DNA Strand I, DNA Strand II, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2022-06-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
1U4A
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BU of 1u4a by Molmil
Solution structure of human SUMO-3 C47S
分子名称: Ubiquitin-like protein SMT3A
著者Ding, H, Xu, Y, Dai, H, Tang, Y, Wu, J, Shi, Y.
登録日2004-07-23
公開日2005-03-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of Human SUMO-3 C47S and Its Binding Surface for Ubc9
Biochemistry, 44, 2005
9INR
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BU of 9inr by Molmil
Crystal structure of PIN1 in complex with inhibitor C3
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
著者Zhang, L.J, Zhang, L.Y.
登録日2024-07-08
公開日2024-09-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
9LIA
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BU of 9lia by Molmil
Crystal structure of AaHPPD-ZD001 complex
分子名称: 4-hydroxyphenylpyruvate dioxygenase, 5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione, COBALT (II) ION
著者Yang, G.-F, Lin, H.-Y, Dong, J.
登録日2025-01-14
公開日2025-07-02
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Repurposing 4-Hydroxyphenylpyruvate dioxygenase inhibitors as novel agents for mosquito control: A structure-based design approach.
Int.J.Biol.Macromol., 315, 2025
5GOV
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BU of 5gov by Molmil
Crystal Structure of MCR-1, a phosphoethanolamine transferase, extracellular domain
分子名称: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
著者Hu, M, Guo, J, Chen, S, Hao, Q.
登録日2016-07-29
公開日2016-12-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal Structure of Escherichia coli originated MCR-1, a phosphoethanolamine transferase for Colistin Resistance.
Sci Rep, 6, 2016
7FH0
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BU of 7fh0 by Molmil
Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
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, DI(HYDROXYETHYL)ETHER, ...
著者Zheng, P, Jin, J.
登録日2021-07-28
公開日2022-08-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
8E3D
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BU of 8e3d by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#11)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*AP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*AP*T)-3'), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2022-08-17
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
8E3E
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BU of 8e3e by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10)
分子名称: DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2022-08-17
公開日2023-02-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
8F8Y
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BU of 8f8y by Molmil
PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
著者Horton, J.R, Cheng, X.
登録日2022-11-22
公開日2023-01-18
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8F8Z
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BU of 8f8z by Molmil
PHF2 (PHD+JMJ) in Complex with H3 Histone N-Terminal Peptide
分子名称: 1,2-ETHANEDIOL, H3 N-Terminal Peptide, Lysine-specific demethylase PHF2, ...
著者Horton, J.R, Cheng, X.
登録日2022-11-22
公開日2023-01-18
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
6WF3
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BU of 6wf3 by Molmil
Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1)
分子名称: ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020

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件を2025-07-09に公開中

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