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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3U4I
 | | CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template | | Descriptor: | ADP-ribosyl cyclase 1, Cyclic adenosine 5'-diphosphocarbocyclic ribose | | Authors: | Liu, Q, Hao, Q, Lee, H.C, Graeff, R. | | Deposit date: | 2011-10-08 | | Release date: | 2012-10-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template
Plos One, 8, 2013
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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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4NNT
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4NNS
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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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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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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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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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4TKQ
 | | Native-SAD phasing for YetJ from Bacillus Subtilis | | Descriptor: | CALCIUM ION, CHLORIDE ION, Uncharacterized protein YetJ | | Authors: | Liu, Q, Chang, Y, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2014-05-27 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8025 Å) | | Cite: | Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
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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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6KU9
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4GG5
 | | Crystal structure of CMET in complex with novel inhibitor | | Descriptor: | 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor | | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-08-05 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.423 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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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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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
 | | 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
 | | 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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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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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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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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2O3Q
 | | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | | Descriptor: | ADP-ribosyl cyclase 1, CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Lee, H.C, Hao, Q. | | Deposit date: | 2006-12-01 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38
J.Biol.Chem., 282, 2007
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2O3R
 | | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | | Descriptor: | ADP-ribosyl cyclase 1, CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Lee, H.C, Hao, Q. | | Deposit date: | 2006-12-01 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38
J.Biol.Chem., 282, 2007
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3F6Y
 | | Conformational Closure of the Catalytic Site of Human CD38 Induced by Calcium | | Descriptor: | ADP-ribosyl cyclase 1, CALCIUM ION | | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Lam, C.M.C, Lee, H.C, Hao, Q. | | Deposit date: | 2008-11-07 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Conformational Closure of the Catalytic Site of Human CD38 Induced by Calcium
Biochemistry, 47, 2008
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2O3T
 | | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | | Descriptor: | ADP-ribosyl cyclase 1, CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE | | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Lee, H.C, Hao, Q. | | Deposit date: | 2006-12-01 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38
J.Biol.Chem., 282, 2007
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3DZG
 | | Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'-phosphate/nicotinamide complex | | Descriptor: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE | | 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 (1.65 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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