3EEL
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![BU of 3eel by Molmil](/molmil-images/mine/3eel) | 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 | Descriptor: | 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 | Authors: | Liu, J, Anderson, A. | Deposit date: | 2008-09-04 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
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3EEJ
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2MTP
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![BU of 2mtp by Molmil](/molmil-images/mine/2mtp) | |
6K0Y
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![BU of 6k0y by Molmil](/molmil-images/mine/6k0y) | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor | Descriptor: | 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ... | Authors: | Liu, J.X, Wang, G.Q. | Deposit date: | 2019-05-08 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor. Sci Rep, 9, 2019
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4NT6
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![BU of 4nt6 by Molmil](/molmil-images/mine/4nt6) | HLA-C*0801 Crystal Structure | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, Cw-8 alpha chain, ... | Authors: | Liu, J.X, Toh, X.Y, Ren, E.C. | Deposit date: | 2013-12-01 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | 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
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4HBK
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![BU of 4hbk by Molmil](/molmil-images/mine/4hbk) | Structure of the Aldose Reductase from Schistosoma japonicum | Descriptor: | Aldo-keto reductase family 1, member B4 (Aldose reductase) | Authors: | Liu, J, Cheng, J, Zhang, X, Yang, Z, Hu, W, Xu, Y. | Deposit date: | 2012-09-28 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds. Parasit Vectors, 6, 2013
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3TO2
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![BU of 3to2 by Molmil](/molmil-images/mine/3to2) | 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 | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Md3-C9 peptide derived from Membrane glycoprotein | Authors: | Liu, J, Qi, J, Gao, F, Yan, J, Gao, G.F. | Deposit date: | 2011-09-03 | Release date: | 2012-08-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Functional and Structural Definition of a Clustering Region of HLA-A2-restricted Cytotoxic T Lymphocyte Epitopes Sci.Technology Rev., 29, 2011
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7CJB
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3TCP
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![BU of 3tcp by Molmil](/molmil-images/mine/3tcp) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569 | Descriptor: | 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CALCIUM ION, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2011-08-09 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia. ACS Med Chem Lett, 3, 2012
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4IDV
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![BU of 4idv by Molmil](/molmil-images/mine/4idv) | 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) | Descriptor: | 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 | Authors: | Liu, J, Sudom, A, Wang, Z. | Deposit date: | 2012-12-13 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures Bioorg.Med.Chem.Lett., 23, 2013
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4HLR
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4IDT
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![BU of 4idt by Molmil](/molmil-images/mine/4idt) | Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28) | Descriptor: | 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 | Authors: | Liu, J, Sudom, A, Wang, Z. | Deposit date: | 2012-12-13 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures Bioorg.Med.Chem.Lett., 23, 2013
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3R00
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5GP7
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![BU of 5gp7 by Molmil](/molmil-images/mine/5gp7) | Structural basis for the binding between Tankyrase-1 and USP25 | Descriptor: | GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25 | Authors: | Liu, J, Xu, D, Fu, T, Pan, L. | Deposit date: | 2016-08-01 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | USP25 regulates Wnt signaling by controlling the stability of tankyrases Genes Dev., 31, 2017
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7F5X
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![BU of 7f5x by Molmil](/molmil-images/mine/7f5x) | GK domain of Drosophila P5CS filament with glutamate | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase, GAMMA-L-GLUTAMIC ACID | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | Deposit date: | 2021-06-23 | Release date: | 2022-04-06 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of dynamic P5CS filaments. Elife, 11, 2022
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7F5V
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![BU of 7f5v by Molmil](/molmil-images/mine/7f5v) | Drosophila P5CS filament with glutamate, ATP, and NADPH | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | Deposit date: | 2021-06-22 | Release date: | 2022-04-06 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of dynamic P5CS filaments. Elife, 11, 2022
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7F5U
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6CI0
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![BU of 6ci0 by Molmil](/molmil-images/mine/6ci0) | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | Authors: | Liu, J, Hiser, C, Ferguson-Miller, S. | Deposit date: | 2018-02-23 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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5WWD
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![BU of 5wwd by Molmil](/molmil-images/mine/5wwd) | Crystal structure of AtNUDX1 | Descriptor: | AMMONIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P. | Deposit date: | 2016-12-31 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.386 Å) | Cite: | Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis. Mol Plant, 11, 2018
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5WY6
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![BU of 5wy6 by Molmil](/molmil-images/mine/5wy6) | Crystal structure of AtNUDX1 (E56A) | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Nudix hydrolase 1, ... | Authors: | Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P. | Deposit date: | 2017-01-11 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.779 Å) | Cite: | Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis. Mol Plant, 11, 2018
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7E35
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![BU of 7e35 by Molmil](/molmil-images/mine/7e35) | Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43 | Descriptor: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION | Authors: | Liu, J, Wang, Y, Xu, X, Pan, L. | Deposit date: | 2021-02-08 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2. Cell Chem Biol, 28, 2021
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3R01
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![BU of 3r01 by Molmil](/molmil-images/mine/3r01) | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | Descriptor: | 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | Authors: | Liu, J. | Deposit date: | 2011-03-07 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3N27
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3UIA
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2NRN
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