4GG7
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![BU of 4gg7 by Molmil](/molmil-images/mine/4gg7) | Crystal structure of cMET in complex with novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-08-06 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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3MD2
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![BU of 3md2 by Molmil](/molmil-images/mine/3md2) | |
4PGS
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![BU of 4pgs by Molmil](/molmil-images/mine/4pgs) | |
4PGU
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![BU of 4pgu by Molmil](/molmil-images/mine/4pgu) | |
4PGR
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5I8P
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![BU of 5i8p by Molmil](/molmil-images/mine/5i8p) | Crystal structure of LP_PLA2 in complex with novel inhibitor | Descriptor: | 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one, Platelet-activating factor acetylhydrolase | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2016-02-19 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors J.Med.Chem., 59, 2016
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4ZSA
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![BU of 4zsa by Molmil](/molmil-images/mine/4zsa) | Crystal structure of FGFR1 kinase domain in complex with 7n | Descriptor: | 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide, Fibroblast growth factor receptor 1 | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2015-05-13 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and biological evaluation of novel FGFR inhibitors bearing an indazole scaffold. Org.Biomol.Chem., 13, 2015
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1H3H
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![BU of 1h3h by Molmil](/molmil-images/mine/1h3h) | Structural Basis for Specific Recognition of an RxxK-containing SLP-76 peptide by the Gads C-terminal SH3 domain | Descriptor: | GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2 | Authors: | Liu, Q, Berry, D, Nash, P, Pawson, T, McGlade, C.J, Li, S.S. | Deposit date: | 2002-09-03 | Release date: | 2003-03-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Specific Binding of the Gads SH3 Domain to an Rxxk Motif-Containing Slp-76 Peptide: A Novel Mode of Peptide Recognition Mol.Cell, 11, 2003
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7D9P
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![BU of 7d9p by Molmil](/molmil-images/mine/7d9p) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12 | Descriptor: | (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Liu, Q.F, Yin, W.C. | Deposit date: | 2020-10-14 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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7D9Q
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![BU of 7d9q by Molmil](/molmil-images/mine/7d9q) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 | Descriptor: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Liu, Q.F, Yin, W.C. | Deposit date: | 2020-10-14 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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7D9O
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![BU of 7d9o by Molmil](/molmil-images/mine/7d9o) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2 | Descriptor: | (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Liu, Q.F, Yin, W.C. | Deposit date: | 2020-10-14 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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1MC2
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![BU of 1mc2 by Molmil](/molmil-images/mine/1mc2) | monomeric LYS-49 phospholipase A2 homologue purified from AG | Descriptor: | Acutohaemonlysin, ISOPROPYL ALCOHOL | Authors: | Liu, Q, Huang, Q.Q, Zhang, R.G, Weeks, C.M, Jelsch, C, Teng, M.K, Niu, L.W. | Deposit date: | 2002-08-05 | Release date: | 2002-08-21 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | The crystal structure of a novel, inactive, lysine 49 PLA2 from Agkistrodon acutus venom: an ultrahigh resolution, AB initio structure determination J.Biol.Chem., 278, 2003
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5HTI
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![BU of 5hti by Molmil](/molmil-images/mine/5hti) | Crystal structure of c-Met kinase domain in complex with LXM108 | Descriptor: | Hepatocyte growth factor receptor, N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2016-01-26 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of c-Met kinase domain in complex with LXM108 to be published
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1SK8
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![BU of 1sk8 by Molmil](/molmil-images/mine/1sk8) | Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A, PHOSPHATE ION | Authors: | Liu, Q, Huang, Q.Q, Lei, X.G, Hao, Q. | Deposit date: | 2004-03-04 | Release date: | 2005-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics Structure, 12, 2004
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1SKB
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![BU of 1skb by Molmil](/molmil-images/mine/1skb) | Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A | Authors: | Liu, Q, Huang, Q, Lei, X.G, Hao, Q. | Deposit date: | 2004-03-04 | Release date: | 2004-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics Structure, 12, 2004
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1SKA
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![BU of 1ska by Molmil](/molmil-images/mine/1ska) | Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A | Authors: | Liu, Q, Huang, Q, Lei, X.G, Hao, Q. | Deposit date: | 2004-03-04 | Release date: | 2004-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics Structure, 12, 2004
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1SK9
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![BU of 1sk9 by Molmil](/molmil-images/mine/1sk9) | Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A, PHOSPHATE ION | Authors: | Liu, Q, Huang, Q, Lei, X.G, Hao, Q. | Deposit date: | 2004-03-04 | Release date: | 2004-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics Structure, 12, 2004
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3QIC
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![BU of 3qic by Molmil](/molmil-images/mine/3qic) | The structure of human glucokinase E339K mutation | Descriptor: | GLYCEROL, Glucokinase, alpha-D-glucopyranose | Authors: | Liu, Q, Liu, S, Liu, J. | Deposit date: | 2011-01-27 | Release date: | 2011-06-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of E339K mutated human glucokinase reveals changes in the ATP binding site. Febs Lett., 585, 2011
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1YH3
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![BU of 1yh3 by Molmil](/molmil-images/mine/1yh3) | Crystal structure of human CD38 extracellular domain | Descriptor: | ADP-ribosyl cyclase 1 | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Munshi, C, Lee, H.C, Hao, Q. | Deposit date: | 2005-01-06 | Release date: | 2005-09-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of human CD38 extracellular domain. Structure, 13, 2005
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3DZF
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![BU of 3dzf by Molmil](/molmil-images/mine/3dzf) | Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate, ara-F-ribose-5'-phosphate | Descriptor: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1 | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | Deposit date: | 2008-07-29 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
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3I9N
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![BU of 3i9n by Molmil](/molmil-images/mine/3i9n) | Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose | Descriptor: | ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9K
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![BU of 3i9k by Molmil](/molmil-images/mine/3i9k) | Crystal structure of ADP ribosyl cyclase complexed with substrate NAD | Descriptor: | ADP-ribosyl cyclase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9M
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![BU of 3i9m by Molmil](/molmil-images/mine/3i9m) | Crystal structure of human CD38 complexed with an analog ara-2'F-ADPR | Descriptor: | ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9J
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![BU of 3i9j by Molmil](/molmil-images/mine/3i9j) | Crystal structure of ADP ribosyl cyclase complexed with a substrate analog and a product nicotinamide | Descriptor: | ADP-ribosyl cyclase, NICOTINAMIDE, Nicotinamide 2-fluoro-adenine dinucleotide, ... | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9L
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![BU of 3i9l by Molmil](/molmil-images/mine/3i9l) | Crystal structure of ADP ribosyl cyclase complexed with N1-cIDPR | Descriptor: | ADP-ribosyl cyclase, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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