2O3S
 
 | | 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 (1.5 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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3DZH
 | | Crystal structure of human CD38 extracellular domain, GTP complex | | Descriptor: | ADP-ribosyl cyclase 1, GUANOSINE-5'-TRIPHOSPHATE | | 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 (1.6 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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2PGL
 | | Catalysis associated conformational changes revealed by human CD38 complexed with a non-hydrolyzable substrate analog | | Descriptor: | ADP-ribosyl cyclase 1, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | | Authors: | Liu, Q, Kriksunov, I.A, Moreau, C, Graeff, R, Potter, B.V.L, Lee, H.C, Hao, Q. | | Deposit date: | 2007-04-09 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Catalysis-associated Conformational Changes Revealed by Human CD38 Complexed with a Non-hydrolyzable Substrate Analog
J.Biol.Chem., 282, 2007
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3DZJ
 | | Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex | | Descriptor: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | | 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 (1.9 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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2PGJ
 | | Catalysis associated conformational changes revealed by human cd38 complexed with a non-hydrolyzable substrate analog | | Descriptor: | ADP-ribosyl cyclase 1, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | | Authors: | Liu, Q, Kriksunov, I.A, Moreau, C, Graeff, R, Potter, B.V.L, Lee, H.C, Hao, Q. | | Deposit date: | 2007-04-09 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Catalysis-associated Conformational Changes Revealed by Human CD38 Complexed with a Non-hydrolyzable Substrate Analog
J.Biol.Chem., 282, 2007
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3DZK
 | | Crystal structure of human CD38 extracellular domain, NMN complex | | Descriptor: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | | 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 (1.81 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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3DZI
 | | Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex | | Descriptor: | 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside, ADP-ribosyl cyclase 1, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, ... | | 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 (1.73 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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2O3U
 | | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | | Descriptor: | 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2- YL]PYRIDINIUM, ADP-ribosyl cyclase 1 | | 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 (2.11 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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4HHY
 | | Crystal structure of PARP catalytic domain in complex with novel inhibitors | | Descriptor: | (9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one, DI(HYDROXYETHYL)ETHER, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-10-10 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3637 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
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4HHZ
 | | Crystal structure of PARP catalytic domain in complex with novel inhibitors | | Descriptor: | N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-10-10 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7199 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
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2I67
 | | Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase 1 | | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Munshi, C, Lee, H.C, Hao, Q. | | Deposit date: | 2006-08-28 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis.
J.Biol.Chem., 281, 2006
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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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2HCT
 | | Acidic residues at the active sites of CD38 and ADP-ribosyl cyclase determine NAAPD synthesis and hydrolysis activities | | Descriptor: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | | Authors: | Liu, Q, Kriksunov, I.A, Hao, Q, Graeff, R, Lee, H.C. | | Deposit date: | 2006-06-18 | | Release date: | 2006-08-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Acidic residues at the active sites of CD38 and ADP-ribosyl cyclase determine nicotinic acid adenine dinucleotide phosphate (NAADP) synthesis and hydrolysis activities.
J.Biol.Chem., 281, 2006
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2I66
 | | Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis | | Descriptor: | ADP-ribosyl cyclase 1, [(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, [(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Munshi, C, Lee, H.C, Hao, Q. | | Deposit date: | 2006-08-28 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis.
J.Biol.Chem., 281, 2006
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2I65
 | | Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis | | Descriptor: | ADP-ribosyl cyclase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Munshi, C, Lee, H.C, Hao, Q. | | Deposit date: | 2006-08-28 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis.
J.Biol.Chem., 281, 2006
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5EOB
 | | Crystal structure of CMET in complex with novel inhibitor | | Descriptor: | 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, Hepatocyte growth factor receptor | | Authors: | Liu, Q, Chen, T, Xu, Y. | | Deposit date: | 2015-11-10 | | Release date: | 2016-10-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor
Eur.J.Med.Chem., 116, 2016
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8SKV
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7T63
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3U4H
 | | CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template | | Descriptor: | 8-Amino-N1-Cyclic Inosine 5'-Diphosphoribose, ADP-ribosyl cyclase 1 | | 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 (1.878 Å) | | Cite: | CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template
Plos One, 8, 2013
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5E84
 | | ATP-bound state of BiP | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | | Deposit date: | 2015-10-13 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
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6ASY
 | | BiP-ATP2 | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. | | Deposit date: | 2017-08-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
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3LLQ
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8SKU
 | | Structure of human SIgA1 in complex with human CD89 (FcaR1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin J chain, ... | | Authors: | Liu, Q, Stadtmueller, B.M. | | Deposit date: | 2023-04-20 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | SIgA structures bound to Streptococcus pyogenes M4 and human CD89 provide insights into host-pathogen interactions.
Nat Commun, 14, 2023
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7M4R
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3MD2
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