8SKV
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2O3Q
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![BU of 2o3q by Molmil](/molmil-images/mine/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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2O3S
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![BU of 2o3s by Molmil](/molmil-images/mine/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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2O3U
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![BU of 2o3u by Molmil](/molmil-images/mine/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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2O3R
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![BU of 2o3r by Molmil](/molmil-images/mine/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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2O3T
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![BU of 2o3t by Molmil](/molmil-images/mine/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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5EOB
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![BU of 5eob by Molmil](/molmil-images/mine/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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2PGJ
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![BU of 2pgj by Molmil](/molmil-images/mine/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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2PGL
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![BU of 2pgl by Molmil](/molmil-images/mine/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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3LLQ
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7T63
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2I65
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![BU of 2i65 by Molmil](/molmil-images/mine/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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4TKQ
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![BU of 4tkq by Molmil](/molmil-images/mine/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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2HCT
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![BU of 2hct by Molmil](/molmil-images/mine/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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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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2I67
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![BU of 2i67 by Molmil](/molmil-images/mine/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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2I66
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![BU of 2i66 by Molmil](/molmil-images/mine/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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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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7M4R
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2KBW
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![BU of 2kbw by Molmil](/molmil-images/mine/2kbw) | Solution Structure of human Mcl-1 complexed with human Bid_BH3 peptide | Descriptor: | BH3-interacting domain death agonist, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Liu, Q, Moldoveanu, T, Sprules, T, Matta-Camacho, E, Mansur-Azzam, N, Gehring, K. | Deposit date: | 2008-12-09 | Release date: | 2009-12-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Apoptotic regulation by MCL-1 through heterodimerization. J.Biol.Chem., 285, 2010
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5E86
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![BU of 5e86 by Molmil](/molmil-images/mine/5e86) | isolated SBD of BiP with loop34 modification | Descriptor: | 78 kDa glucose-regulated protein | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | Deposit date: | 2015-10-13 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.681 Å) | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP. Structure, 23, 2015
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5E84
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![BU of 5e84 by Molmil](/molmil-images/mine/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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5E85
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![BU of 5e85 by Molmil](/molmil-images/mine/5e85) | isolated SBD of BiP | Descriptor: | 78 kDa glucose-regulated protein, SULFATE ION | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | Deposit date: | 2015-10-13 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.57 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
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![BU of 6asy by Molmil](/molmil-images/mine/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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4PGV
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![BU of 4pgv by Molmil](/molmil-images/mine/4pgv) | |