3DZJ
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![BU of 3dzj by Molmil](/molmil-images/mine/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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3DZK
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![BU of 3dzk by Molmil](/molmil-images/mine/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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3DZH
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![BU of 3dzh by Molmil](/molmil-images/mine/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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3F6Y
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![BU of 3f6y by Molmil](/molmil-images/mine/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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3U4I
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![BU of 3u4i by Molmil](/molmil-images/mine/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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3U4H
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![BU of 3u4h by Molmil](/molmil-images/mine/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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3ZWM
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![BU of 3zwm by Molmil](/molmil-images/mine/3zwm) | Crystal structure of ADP ribosyl cyclase complexed with substrate NAD and product cADPR | Descriptor: | ADP-RIBOSYL CYLCASE, CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-02 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. J.Mol.Biol., 415, 2012
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3ZWO
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![BU of 3zwo by Molmil](/molmil-images/mine/3zwo) | Crystal structure of ADP ribosyl cyclase complexed with reaction intermediate | 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, GUANOSINE DIPHOSPHATE RIBOSE | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-02 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. J.Mol.Biol., 415, 2012
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3ZWY
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![BU of 3zwy by Molmil](/molmil-images/mine/3zwy) | Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose and cyclic 8-bromo-cyclic-ADP-ribose | Descriptor: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, ADP-RIBOSYL CYCLASE, [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. To be Published
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3ZWW
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![BU of 3zww by Molmil](/molmil-images/mine/3zww) | Crystal structure of ADP-ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.3 angstrom | Descriptor: | ADP-RIBOSYL CYCLASE, [(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: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-03 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. J.Mol.Biol., 415, 2012
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3ZWN
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![BU of 3zwn by Molmil](/molmil-images/mine/3zwn) | Crystal structure of Aplysia cyclase complexed with substrate NGD and product cGDPR | 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, CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-02 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. J.Mol.Biol., 415, 2012
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3ZWX
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![BU of 3zwx by Molmil](/molmil-images/mine/3zwx) | Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose | Descriptor: | ADP-RIBOSYL CYCLASE, CHLORIDE ION, [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. To be Published
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3ZWP
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![BU of 3zwp by Molmil](/molmil-images/mine/3zwp) | Crystal structure of ADP ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.1 angstrom | Descriptor: | ADP-RIBOSYL CYCLASE, GLYCEROL, [(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: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-02 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. J.Mol.Biol., 415, 2012
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3ZWV
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![BU of 3zwv by Molmil](/molmil-images/mine/3zwv) | Crystal structure of ADP-ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.3 angstrom | Descriptor: | ADP-RIBOSYL CYCLASE, [(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: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-03 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of intermediates along the cyclization pathway of Aplysia ADP-ribosyl cyclase. J. Mol. Biol., 415, 2012
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4TMF
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![BU of 4tmf by Molmil](/molmil-images/mine/4tmf) | Crystal structure of human CD38 in complex with hydrolysed compound JMS713 | Descriptor: | 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | Authors: | Zhang, H, Swarbrick, J, Potter, B, Hao, Q. | Deposit date: | 2014-06-01 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cyclic adenosine 5'-diphosphate ribose analogs without a "southern" ribose inhibit ADP-ribosyl cyclase-hydrolase CD38. J.Med.Chem., 57, 2014
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3OFS
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![BU of 3ofs by Molmil](/molmil-images/mine/3ofs) | Dynamic conformations of the CD38-mediated NAD cyclization captured using multi-copy crystallography | 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: | Zhang, H, Lee, H.C, Hao, Q. | Deposit date: | 2010-08-16 | Release date: | 2010-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dynamic Conformations of the CD38-Mediated NAD Cyclization Captured in a Single Crystal J.Mol.Biol., 405, 2011
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4F46
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![BU of 4f46 by Molmil](/molmil-images/mine/4f46) | Crystal structure of wild type human CD38 in complex with NAADP and ADPRP | Descriptor: | ADP-ribosyl cyclase 1, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Zhang, H, Lee, H.C, Hao, Q. | Deposit date: | 2012-05-10 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal Structures of Human CD38 in Complex with NAADP and ADPRP MESSENGER, 2, 2013
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4F45
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![BU of 4f45 by Molmil](/molmil-images/mine/4f45) | Crystal structure of human CD38 E226Q mutant in complex with NAADP | Descriptor: | ADP-ribosyl cyclase 1, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate | Authors: | Zhang, H, Lee, H.C, Hao, Q. | Deposit date: | 2012-05-10 | Release date: | 2013-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Human CD38 in Complex with NAADP and ADPRP MESSENGER, 2, 2013
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