2G01
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![BU of 2g01 by Molmil](/molmil-images/mine/2g01) | Pyrazoloquinolones as Novel, Selective JNK1 inhibitors | Descriptor: | 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE, C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-02-10 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2NO3
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![BU of 2no3 by Molmil](/molmil-images/mine/2no3) | Novel 4-anilinopyrimidines as potent JNK1 Inhibitors | Descriptor: | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, Mitogen-activated protein kinase 8, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-10-24 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. Bioorg.Med.Chem.Lett., 17, 2007
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8LDH
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![BU of 8ldh by Molmil](/molmil-images/mine/8ldh) | |
6UCR
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![BU of 6ucr by Molmil](/molmil-images/mine/6ucr) | Structure of ClpC1-NTD L92S L96P | Descriptor: | ACETATE ION, Negative regulator of genetic competence ClpC/mecB | Authors: | Abad-Zapatero, C, Wolf, N.M. | Deposit date: | 2019-09-17 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions. Acta Crystallogr D Struct Biol, 76, 2020
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6LDH
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7JS3
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![BU of 7js3 by Molmil](/molmil-images/mine/7js3) | Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis | Descriptor: | Fructose-1,6-bisphosphatase, GLYCEROL, MAGNESIUM ION | Authors: | Abad-Zapatero, C, Wolf, N.M, Movahedzadeh, F, Gutka, H, Selezneva, A. | Deposit date: | 2020-08-13 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biochemical characterization of the class II fructose-1,6-bisphosphatase from Francisella tularensis. Acta Crystallogr.,Sect.F, 76, 2020
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8G5X
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![BU of 8g5x by Molmil](/molmil-images/mine/8g5x) | Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis complexed with native metal cofactor Mn++ and substrate Fructose-1,6-Bisphosphate | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, GLYCEROL, ... | Authors: | Abad-Zapatero, C, Selezneva, A.I. | Deposit date: | 2023-02-14 | Release date: | 2023-06-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class. Plos One, 18, 2023
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8G5W
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![BU of 8g5w by Molmil](/molmil-images/mine/8g5w) | Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis complexed with native metal cofactor Mn++ | Descriptor: | Fructose-1,6-bisphosphatase, GLYCEROL, MANGANESE (II) ION | Authors: | Abad-Zapatero, C, Selezneva, A.I. | Deposit date: | 2023-02-14 | Release date: | 2023-06-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class. Plos One, 18, 2023
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2H96
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![BU of 2h96 by Molmil](/molmil-images/mine/2h96) | Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors | Descriptor: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-06-09 | Release date: | 2006-07-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors. J.Med.Chem., 49, 2006
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2GMX
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![BU of 2gmx by Molmil](/molmil-images/mine/2gmx) | Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity | Descriptor: | C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-04-07 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity. J.Med.Chem., 49, 2006
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7TXA
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![BU of 7txa by Molmil](/molmil-images/mine/7txa) | Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis complexed with native metal cofactor Mn++ and product F6P | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MANGANESE (II) ION | Authors: | Abad-Zapatero, C, Selezneva, A.I. | Deposit date: | 2022-02-08 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class. Plos One, 18, 2023
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7TXG
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![BU of 7txg by Molmil](/molmil-images/mine/7txg) | Structure of the Class II Fructose-1,6-Bisphosphatase from Francisella tularensis with native Mn++ divalent cation and partially occupied product F6P | Descriptor: | Fructose-1,6-bisphosphatase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Abad-Zapatero, C, Selezneva, A.I, Harding, L.N.M, Movahedzadeh, F. | Deposit date: | 2022-02-09 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class. Plos One, 18, 2023
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7TXB
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![BU of 7txb by Molmil](/molmil-images/mine/7txb) | Structure of the Class II Fructose-1,6-Bisphophatase from Mycobacterium tuberculosis complexed with substrate F1,6BP | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase class 2, GLYCEROL, ... | Authors: | Abad-Zapatero, C, Selezneva, A.I, Gutka, H.J. | Deposit date: | 2022-02-08 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.71 Å) | Cite: | New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class. Plos One, 18, 2023
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1ZAP
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![BU of 1zap by Molmil](/molmil-images/mine/1zap) | SECRETED ASPARTIC PROTEASE FROM C. ALBICANS | Descriptor: | N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hydroxy-5-methylhexyl]-L-norleucinamide, SECRETED ASPARTIC PROTEINASE, ZINC ION | Authors: | Abad-Zapatero, C, Muchmore, S.W. | Deposit date: | 1996-01-16 | Release date: | 1997-04-21 | Last modified: | 2012-01-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a secreted aspartic protease from C. albicans complexed with a potent inhibitor: implications for the design of antifungal agents. Protein Sci., 5, 1996
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6PBS
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![BU of 6pbs by Molmil](/molmil-images/mine/6pbs) | Structure of ClpC1-NTD in complex with Ecumicin | Descriptor: | ACETATE ION, ATP-dependent Clp protease ATP-binding subunit ClpC1, ecumicin | Authors: | Abad-Zapatero, C, Wolf, N.M. | Deposit date: | 2019-06-14 | Release date: | 2020-05-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions. Acta Crystallogr D Struct Biol, 76, 2020
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6PBA
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![BU of 6pba by Molmil](/molmil-images/mine/6pba) | Structure of ClpC1-NTD | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpC1 | Authors: | Abad-Zapatero, C, Wolf, N.M. | Deposit date: | 2019-06-13 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions. Acta Crystallogr D Struct Biol, 76, 2020
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6PBQ
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![BU of 6pbq by Molmil](/molmil-images/mine/6pbq) | Structure of ClpC1-NTD | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ATP-dependent Clp protease ATP-binding subunit ClpC1, PHOSPHATE ION | Authors: | Abad-Zapatero, C, Wolf, N.M. | Deposit date: | 2019-06-14 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions. Acta Crystallogr D Struct Biol, 76, 2020
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2FIX
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2FIE
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![BU of 2fie by Molmil](/molmil-images/mine/2fie) | |
2FHY
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![BU of 2fhy by Molmil](/molmil-images/mine/2fhy) | |
3O17
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![BU of 3o17 by Molmil](/molmil-images/mine/3o17) | Crystal Structure of JNK1-alpha1 isoform | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2010-07-20 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of JNK1-alpha1 isoform TO BE PUBLISHED
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3O2M
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6AYV
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![BU of 6ayv by Molmil](/molmil-images/mine/6ayv) | Crystal structure of fructose-1,6-bisphosphatase T84A from Mycobacterium tuberculosis | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase class 2, GLYCEROL, ... | Authors: | Abad-Zapatero, C, Wolf, N, Gutka, H.J, Movahedzadeh, F. | Deposit date: | 2017-09-08 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the Mycobacterium tuberculosis GlpX protein (class II fructose-1,6-bisphosphatase): implications for the active oligomeric state, catalytic mechanism and citrate inhibition. Acta Crystallogr D Struct Biol, 74, 2018
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6CN8
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![BU of 6cn8 by Molmil](/molmil-images/mine/6cn8) | High-resolution structure of ClpC1-NTD binding to Rufomycin-I | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Abad-Zapatero, C, Wolf, N.W. | Deposit date: | 2018-03-07 | Release date: | 2019-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads. Acs Infect Dis., 5, 2019
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3PEP
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![BU of 3pep by Molmil](/molmil-images/mine/3pep) | |