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PDB: 266 results

4GG7
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BU of 4gg7 by Molmil
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
3MD2
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BU of 3md2 by Molmil
Crystal structure of the matrix protein 1 from influenza A virus (A/California/04/2009 (H1N1))
Descriptor: matrix protein 1
Authors:Liu, Q, Kloss, B, Skowronski, E.S, Height, J, Love, J.
Deposit date:2010-03-29
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the matrix protein 1 from influenza A virus (A/California/04/2009 (H1N1))
To be Published
4PGS
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BU of 4pgs by Molmil
Crystal structure of YetJ from Bacillus Subtilis at pH 6 by soaking
Descriptor: Uncharacterized protein YetJ
Authors:Liu, Q, Chang, Y, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-05-02
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for a pH-sensitive calcium leak across membranes.
Science, 344, 2014
4PGU
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BU of 4pgu by Molmil
Crystal structure of YetJ from Bacillus Subtilis at pH 7 by soaking
Descriptor: Uncharacterized protein YetJ
Authors:Liu, Q, Chang, Y, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-05-02
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Structural basis for a pH-sensitive calcium leak across membranes.
Science, 344, 2014
4PGR
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BU of 4pgr by Molmil
Crystal structure of YetJ from Bacillus Subtilis at pH 8
Descriptor: Uncharacterized protein YetJ
Authors:Liu, Q, Chang, Y, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-05-02
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for a pH-sensitive calcium leak across membranes.
Science, 344, 2014
5I8P
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BU of 5i8p by Molmil
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
4ZSA
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BU of 4zsa by Molmil
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
1H3H
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BU of 1h3h by Molmil
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
7D9P
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BU of 7d9p by Molmil
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
7D9Q
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BU of 7d9q by Molmil
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
7D9O
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BU of 7d9o by Molmil
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
1MC2
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BU of 1mc2 by Molmil
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
5HTI
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BU of 5hti by Molmil
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
1SK8
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BU of 1sk8 by Molmil
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
1SKB
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BU of 1skb by Molmil
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
1SKA
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BU of 1ska by Molmil
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
1SK9
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BU of 1sk9 by Molmil
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
3QIC
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BU of 3qic by Molmil
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
1YH3
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BU of 1yh3 by Molmil
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
3DZF
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BU of 3dzf by Molmil
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
3I9N
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BU of 3i9n by Molmil
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
3I9K
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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
3I9M
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BU of 3i9m by Molmil
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
3I9J
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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
3I9L
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BU of 3i9l by Molmil
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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