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1ZAP
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BU of 1zap by Molmil
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
8LDH
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BU of 8ldh by Molmil
REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
Descriptor: CITRIC ACID, M4 APO-LACTATE DEHYDROGENASE
Authors:Abad-Zapatero, C, Rossmann, M.G.
Deposit date:1988-01-04
Release date:1989-07-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
6LDH
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BU of 6ldh by Molmil
REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
Descriptor: M4 APO-LACTATE DEHYDROGENASE, SULFATE ION
Authors:Abad-Zapatero, C, Rossmann, M.G.
Deposit date:1987-11-25
Release date:1989-07-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
3PEP
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BU of 3pep by Molmil
REVISED 2.3 ANGSTROMS STRUCTURE OF PORCINE PEPSIN. EVIDENCE FOR A FLEXIBLE SUBDOMAIN
Descriptor: ETHANOL, PEPSIN
Authors:Abad-Zapatero, C, Erickson, J.W.
Deposit date:1989-10-24
Release date:1990-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Revised 2.3 A structure of porcine pepsin: evidence for a flexible subdomain
Proteins, 8, 1990
2NO3
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BU of 2no3 by Molmil
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
8G5W
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BU of 8g5w by Molmil
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:2023-07-05
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
8G5X
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BU of 8g5x by Molmil
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:2023-07-05
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
6CN8
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BU of 6cn8 by Molmil
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
6UCR
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BU of 6ucr by Molmil
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
7TXB
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BU of 7txb by Molmil
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
7TXA
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BU of 7txa by Molmil
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
7TXG
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BU of 7txg by Molmil
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
7JS3
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BU of 7js3 by Molmil
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
2H96
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BU of 2h96 by Molmil
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
2FIE
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BU of 2fie by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors
Descriptor: 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1
Authors:Abad-Zapatero, C.
Deposit date:2005-12-29
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FIX
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BU of 2fix by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors
Descriptor: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-30
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
6PBA
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BU of 6pba by Molmil
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
6PBQ
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BU of 6pbq by Molmil
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
2FHY
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BU of 2fhy by Molmil
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
Descriptor: 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Abad-Zapatero, C.
Deposit date:2005-12-27
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
6PBS
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BU of 6pbs by Molmil
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
3O17
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BU of 3o17 by Molmil
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
3O2M
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BU of 3o2m by Molmil
Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-22
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
6AYY
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BU of 6ayy by Molmil
Crystal structure of Apo fructose-1,6-bisphosphatase from Mycobacterium tuberculosis
Descriptor: CITRIC ACID, 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 (2.601 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
6AYU
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BU of 6ayu by Molmil
Crystal structure of fructose-1,6-bisphosphatase T84S 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 (2.2 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
6AYV
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BU of 6ayv by Molmil
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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