4U7F
| Reduced quinone reductase 2 in complex with CK2 inhibitor DMAT | Descriptor: | 4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2014-07-30 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Quinone Reductase 2 Is an Adventitious Target of Protein Kinase CK2 Inhibitors TBBz (TBI) and DMAT. Biochemistry, 54, 2015
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4U7G
| Oxidized quinone reductase 2 in complex with CK2 inhibitor TBBz | Descriptor: | 4,5,6,7-TETRABROMO-BENZIMIDAZOLE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2014-07-30 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Quinone Reductase 2 Is an Adventitious Target of Protein Kinase CK2 Inhibitors TBBz (TBI) and DMAT. Biochemistry, 54, 2015
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4U7H
| Oxidized quinone reductase 2 in complex with CK2 inhibitor DMAT | Descriptor: | 4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2014-07-30 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Quinone Reductase 2 Is an Adventitious Target of Protein Kinase CK2 Inhibitors TBBz (TBI) and DMAT. Biochemistry, 54, 2015
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4FGJ
| Oxidized quinone reductase 2 in complex with primaquine | Descriptor: | (4S)-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2012-06-04 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.346 Å) | Cite: | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction J.Biol.Chem., 2013
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4FGL
| Reduced quinone reductase 2 in complex with chloroquine | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2012-06-04 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction J.Biol.Chem., 2013
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4FGK
| Oxidized quinone reductase 2 in complex with chloroquine | Descriptor: | (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2012-06-04 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction J.Biol.Chem., 2013
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4ZVL
| Oxidized quinone reductase 2 in complex with acridine orange | Descriptor: | ACRIDINE ORANGE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2015-05-18 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry, 54, 2015
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5BUC
| Oxidized quinone reductase 2 in complex with ethidium | Descriptor: | ETHIDIUM, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2015-06-03 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.867 Å) | Cite: | Structure of quinone reductase 2 in complex with DNA intercalating agents to be published
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4ZVK
| Reduced quinone reductase 2 in complex with ethidium | Descriptor: | ETHIDIUM, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2015-05-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.867 Å) | Cite: | Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry, 54, 2015
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4ZVN
| Reduced quinone reductase 2 in complex with acridine orange | Descriptor: | ACRIDINE ORANGE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2015-05-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry, 54, 2015
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4ZVM
| Oxidized quinone reductase 2 in complex with doxorubicin | Descriptor: | DOXORUBICIN, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2015-05-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry, 54, 2015
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7JWB
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8SMK
| hPAD4 bound to Activating Fab hA362 | Descriptor: | Activating Fab 362 heavy chain, Activating Fab 362 light chain, CALCIUM ION, ... | Authors: | Maker, A, Verba, K.A. | Deposit date: | 2023-04-26 | Release date: | 2024-03-06 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Antibody discovery identifies regulatory mechanisms of protein arginine deiminase 4. Nat.Chem.Biol., 20, 2024
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8SML
| hPAD4 bound to inhibitory Fab hI365 | Descriptor: | CALCIUM ION, Fab hI365 heavy chain, Fab hI365 light chain, ... | Authors: | Maker, A, Verba, K.A. | Deposit date: | 2023-04-26 | Release date: | 2024-03-06 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Antibody discovery identifies regulatory mechanisms of protein arginine deiminase 4. Nat.Chem.Biol., 20, 2024
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8EG6
| huCaspase-6 in complex with inhibitor 2a | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | Deposit date: | 2022-09-11 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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8EG5
| huCaspase-6 in complex with inhibitor 3a | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | Deposit date: | 2022-09-11 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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8DV1
| SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain, Spike glycoprotein | Authors: | QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A. | Deposit date: | 2022-07-27 | Release date: | 2022-08-31 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps. Structure, 31, 2023
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8DV2
| SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to computationally engineered ACE2 mimetic CVD293 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion, Spike glycoprotein | Authors: | QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A. | Deposit date: | 2022-07-27 | Release date: | 2022-08-31 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps. Structure, 31, 2023
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