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PDB: 1111 件

3EEL
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Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP11153TM) and NADPH
分子名称: 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, J, Anderson, A.
登録日2008-09-04
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors
Chem.Biol.Drug Des., 73, 2009
3EEJ
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Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-phenylphenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D) and NADPH
分子名称: 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, J, Anderson, A.
登録日2008-09-04
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors
Chem.Biol.Drug Des., 73, 2009
2MTP
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BU of 2mtp by Molmil
The structure of Filamin repeat 21 bound to integrin
分子名称: Filamin-A, Integrin alpha-IIb, Integrin beta-3
著者Liu, J, Qin, J.
登録日2014-08-28
公開日2015-04-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural mechanism of integrin inactivation by filamin.
Nat.Struct.Mol.Biol., 22, 2015
6K0Y
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Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor
分子名称: 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ...
著者Liu, J.X, Wang, G.Q.
登録日2019-05-08
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
4NT6
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BU of 4nt6 by Molmil
HLA-C*0801 Crystal Structure
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, Cw-8 alpha chain, ...
著者Liu, J.X, Toh, X.Y, Ren, E.C.
登録日2013-12-01
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The immunodominant influenza A virus M158-66 cytotoxic T lymphocyte epitope exhibits degenerate class I major histocompatibility complex restriction in humans.
J.Virol., 88, 2014
4HBK
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BU of 4hbk by Molmil
Structure of the Aldose Reductase from Schistosoma japonicum
分子名称: Aldo-keto reductase family 1, member B4 (Aldose reductase)
著者Liu, J, Cheng, J, Zhang, X, Yang, Z, Hu, W, Xu, Y.
登録日2012-09-28
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds.
Parasit Vectors, 6, 2013
3TO2
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Structure of HLA-A*0201 complexed with peptide Md3-C9 derived from a clustering region of restricted cytotoxic T lymphocyte epitope from SARS-CoV M protein
分子名称: Beta-2-microglobulin, MHC class I antigen, Md3-C9 peptide derived from Membrane glycoprotein
著者Liu, J, Qi, J, Gao, F, Yan, J, Gao, G.F.
登録日2011-09-03
公開日2012-08-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Functional and Structural Definition of a Clustering Region of HLA-A2-restricted Cytotoxic T Lymphocyte Epitopes
Sci.Technology Rev., 29, 2011
7CJB
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VHL recognizes hydroxyproline in RIPK1
分子名称: Elongin-B, Elongin-C, GLYCEROL, ...
著者Liu, J, Wang, Y, Pan, L.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献VHL recognizes hydroxyproline in RIPK1
To Be Published
3TCP
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BU of 3tcp by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569
分子名称: 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CALCIUM ION, CHLORIDE ION, ...
著者Liu, J, Yang, C, Simpson, C, DeRyckere, D, Van Deusen, A, Miley, M, Kireev, D.B, Norris-Drouin, J, Sather, S, Hunter, D, Patel, H.S, Janzen, W.P, Machius, M, Johnson, G, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2011-08-09
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.
ACS Med Chem Lett, 3, 2012
4IDV
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Crystal Structure of NIK with compound 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol (13V)
分子名称: 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol, Mitogen-activated protein kinase kinase kinase 14
著者Liu, J, Sudom, A, Wang, Z.
登録日2012-12-13
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4HLR
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Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
分子名称: Gp41, HEXANE-1,6-DIOL
著者Liu, J, Lu, M.
登録日2012-10-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
To be Published
4IDT
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Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28)
分子名称: 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14
著者Liu, J, Sudom, A, Wang, Z.
登録日2012-12-13
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
3R00
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BU of 3r00 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
5GP7
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BU of 5gp7 by Molmil
Structural basis for the binding between Tankyrase-1 and USP25
分子名称: GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25
著者Liu, J, Xu, D, Fu, T, Pan, L.
登録日2016-08-01
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献USP25 regulates Wnt signaling by controlling the stability of tankyrases
Genes Dev., 31, 2017
7F5X
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BU of 7f5x by Molmil
GK domain of Drosophila P5CS filament with glutamate
分子名称: Delta-1-pyrroline-5-carboxylate synthase, GAMMA-L-GLUTAMIC ACID
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-23
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
7F5V
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Drosophila P5CS filament with glutamate, ATP, and NADPH
分子名称: Delta-1-pyrroline-5-carboxylate synthase
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-22
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
7F5U
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Drosophila P5CS filament with glutamate and ATPgammaS
分子名称: Delta-1-pyrroline-5-carboxylate synthase
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-22
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
6CI0
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BU of 6ci0 by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation
分子名称: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
著者Liu, J, Hiser, C, Ferguson-Miller, S.
登録日2018-02-23
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain.
Biochim. Biophys. Acta, 1859, 2018
5WWD
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BU of 5wwd by Molmil
Crystal structure of AtNUDX1
分子名称: AMMONIUM ION, GLYCEROL, MAGNESIUM ION, ...
著者Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
登録日2016-12-31
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.386 Å)
主引用文献Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
5WY6
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Crystal structure of AtNUDX1 (E56A)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Nudix hydrolase 1, ...
著者Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
登録日2017-01-11
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
7E35
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Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
分子名称: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
著者Liu, J, Wang, Y, Xu, X, Pan, L.
登録日2021-02-08
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
3R01
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The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3N27
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Molecular Basis of the Inhibition of Henipa Viruses
分子名称: CITRIC ACID, Fusion glycoprotein F0, linker, ...
著者Liu, J, Lu, M.
登録日2010-05-17
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis of the Inhibition of Henipa Viruses
To be Published
3UIA
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BU of 3uia by Molmil
Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycoprotein 41
著者Liu, J, Lu, M.
登録日2011-11-04
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
To be Published
2NRN
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Self-assembly of coiled-coil tetramers in the 1.40 A structure of a leucine-zipper mutant
分子名称: General control protein GCN4, PHOSPHATE ION
著者Liu, J, Lu, M.
登録日2006-11-02
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Self-assembly of coiled-coil tetramers in the 1.40 A structure of a leucine-zipper mutant.
Protein Sci., 16, 2007

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