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4WHG
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Crystal Structure of TR3 LBD in complex with Molecule 3
分子名称: 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4WGI
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BU of 4wgi by Molmil
A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
分子名称: (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H.
登録日2014-09-18
公開日2014-11-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
4WHF
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BU of 4whf by Molmil
Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one
分子名称: 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4NAC
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BU of 4nac by Molmil
Crystal Structure of the N-terminal Domain of p15RS
分子名称: Regulation of nuclear pre-mRNA domain-containing protein 1A
著者Mei, K, Jin, Z, Ren, F, Wang, Y.
登録日2013-10-22
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystal Structure of the N-terminal Domain of p15RS
To be Published
6WX2
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BU of 6wx2 by Molmil
Vaccine-elicited mouse FP-targeting neutralizing antibody vFP16.02 with F60P mutation on light chain in complex with HIV fusion peptide (residue 512-519)
分子名称: fusion peptide, vFP16.02 antibody heavy chain, vFP16.02 antibody light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2020-05-09
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mutational fitness landscapes reveal genetic and structural improvement pathways for a vaccine-elicited HIV-1 broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 118, 2021
6X2Q
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BU of 6x2q by Molmil
Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase
著者Qin, Z, Wang, Y.
登録日2020-05-20
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose
To Be Published
5XP8
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BU of 5xp8 by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 4A5 on the guide strand
分子名称: DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(*CP*AP*AP*CP*C*AP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*AP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ...
著者Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y.
登録日2017-06-01
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
4U7U
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BU of 4u7u by Molmil
Crystal structure of RNA-guided immune Cascade complex from E.coli
分子名称: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
著者Zhao, H, Sheng, G, Wang, J, Wang, M, Bunkoczi, G, Gong, W, Wei, Z, Wang, Y.
登録日2014-07-31
公開日2014-08-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Crystal structure of the RNA-guided immune surveillance Cascade complex in Escherichia coli
Nature, 515, 2014
5XI7
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BU of 5xi7 by Molmil
Crystal structure of T2R-TTL bound with PO-7
分子名称: (6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Chu, Y, Wang, Y, Yang, J, Li, W.
登録日2017-04-26
公開日2017-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
4EYR
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BU of 4eyr by Molmil
Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir
分子名称: HIV-1 PROTEASE, RITONAVIR
著者Liu, Z, Yedidi, R.S, Wang, Y, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2012-05-01
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the mechanism of drug resistance: X-ray structure analysis of multi-drug resistant HIV-1 protease ritonavir complex.
Biochem.Biophys.Res.Commun., 431, 2013
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
著者Yang, J, Wang, Y, Zhang, G.
登録日2023-03-01
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
6DXD
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BU of 6dxd by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - C347S mutant
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DXE
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BU of 6dxe by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - M64I F170S G173A S213G Q217A T270V C347S mutant
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DX7
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BU of 6dx7 by Molmil
Crystal structure of chalcone synthase from Physcomitrella patens
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DX8
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BU of 6dx8 by Molmil
Crystal structure of chalcone synthase from Selaginella moellendorffii
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DD2
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BU of 6dd2 by Molmil
Crystal structure of Selaginella moellendorffii HCT
分子名称: Probable hydroxycinnamoyl transferase
著者Levsh, O, Chiang, Y.C, Lam, C.K, Wang, Y, Weng, J.K.
登録日2018-05-09
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9056 Å)
主引用文献Structural and dynamic basis of substrate permissiveness in hydroxycinnamoyltransferase (HCT).
PLoS Comput. Biol., 14, 2018
6DXB
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BU of 6dxb by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DX9
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BU of 6dx9 by Molmil
Crystal structure of chalcone synthase from Equisetum arvense
分子名称: Chalcone synthase
著者Weng, J.K, Liou, G, Chiang, Y.C, Wang, Y.
登録日2018-06-28
公開日2018-10-17
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DXC
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BU of 6dxc by Molmil
Crystal structure of chalcone synthase from Selaginella moellendorffii - S340C mutant
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6E6S
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BU of 6e6s by Molmil
1.45 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E/K46Y mutant from Pseudomonas aeruginosa
分子名称: Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER
著者Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M.
登録日2018-07-25
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site.
Biochemistry, 57, 2018
4RL1
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BU of 4rl1 by Molmil
Structural and functional analysis of a loading acyltransferase from the avermectin modular polyketide synthase
分子名称: Type I polyketide synthase AVES 1
著者Wang, F, Wang, Y, Zheng, J.
登録日2014-10-15
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analysis of the loading acyltransferase from avermectin modular polyketide synthase.
Acs Chem.Biol., 10, 2015
4W9P
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BU of 4w9p by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F.
登録日2014-08-27
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
4W9Q
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BU of 4w9q by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F.
登録日2014-08-27
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
6EEM
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BU of 6eem by Molmil
Crystal structure of Papaver somniferum tyrosine decarboxylase in complex with L-tyrosine
分子名称: N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine, SULFATE ION, TYROSINE, ...
著者Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
登録日2018-08-14
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.61000657 Å)
主引用文献Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EEQ
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Crystal structure of Rhodiola rosea 4-hydroxyphenylacetaldehyde synthase
分子名称: 4-hydroxyphenylacetaldehyde synthase
著者Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
登録日2018-08-15
公開日2018-09-19
最終更新日2020-06-03
実験手法X-RAY DIFFRACTION (2.600086 Å)
主引用文献Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020

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