5BZ3
 
 | | CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION. | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, Na(+)/H(+) antiporter | | Authors: | Coincon, M, Uzdavinys, P, Emmanuel, N, Cameron, A, Drew, D. | | Deposit date: | 2015-06-11 | | Release date: | 2016-01-20 | | Last modified: | 2016-03-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters.
Nat.Struct.Mol.Biol., 23, 2016
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5BZ2
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4B5T
 | | Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with ketobutyrate | | Descriptor: | 2-KETOBUTYRIC ACID, 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.923 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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4B5S
 | | Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate | | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, D-Glyceraldehyde, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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4B5V
 | | Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with 4-hydroxyl-2-ketoheptane-1,7-dioate | | Descriptor: | (4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid, 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, GLYCEROL, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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4B5W
 | | Crystal structures of divalent metal dependent pyruvate aldolase R70A mutant, HpaI, in complex with pyruvate | | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, CALCIUM ION, COBALT (II) ION, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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4B5U
 | | Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate and succinic semialdehyde | | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, 4-oxobutanoic acid, COBALT (II) ION, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.913 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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4B5X
 | | Crystal structures of divalent metal dependent pyruvate aldolase (HpaI), mutant D42A | | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, GLYCEROL, PHOSPHATE ION | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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3C52
 | | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with phosphoglycolohydroxamic acid, a competitive inhibitor | | Descriptor: | CALCIUM ION, Fructose-bisphosphate aldolase, PHOSPHOGLYCOLOHYDROXAMIC ACID, ... | | Authors: | Coincon, M, Sygusch, J. | | Deposit date: | 2008-01-30 | | Release date: | 2008-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Biochemical Evaluation of Selective Inhibitors of Class II Fructose Bisphosphate Aldolases: Towards New Synthetic Antibiotics.
Chemistry, 14, 2008
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3C4U
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3C56
 | | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(3-Hydroxypropyl)-glycolohydroxamic acid bisphosphate, a competitive inhibitor | | Descriptor: | 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate, Fructose-bisphosphate aldolase, ZINC ION | | Authors: | Coincon, M, Sygusch, J, Potvin-Dulude, P. | | Deposit date: | 2008-01-30 | | Release date: | 2008-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Biochemical Evaluation of Selective Inhibitors of Class II Fructose Bisphosphate Aldolases: Towards New Synthetic Antibiotics.
Chemistry, 14, 2008
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4A21
 | | Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to sulfate | | Descriptor: | FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, SULFATE ION | | Authors: | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-05 | | Last modified: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Glycolytic and Non-Glycolytic Functions of the Fructose-1,6-Bisphosphate Aldolase of Mycobacterium Tuberculosis, an Essential Enzyme Produced by Replicating and Non-Replicating Bacilli
J.Biol.Chem., 286, 2011
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4A22
 | | Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to N-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate | | Descriptor: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, ... | | Authors: | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-12 | | Last modified: | 2018-11-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli.
J. Biol. Chem., 286, 2011
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5VJF
 | | Class II fructose-1,6-bisphosphate aldolase of Helicobacter pylori with DHAP | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, Fructose-bisphosphate aldolase, ... | | Authors: | Coincon, M, Sygusch, J. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
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5VJE
 | | Class II fructose-1,6-bisphosphate aldolase of Escherichia coli with D-glucitol 1,6-bisphosphate | | Descriptor: | D-Glucitol-1,6-bisphosphate, Fructose-bisphosphate aldolase class 2, SODIUM ION | | Authors: | Coincon, M, Sygusch, J. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
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4AKZ
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4AKY
 | | CRYSTAL STRUCTURE OF VIRB8 FROM BRUCELLA SUIS IN COMPLEX WITH INTERACTION INHIBITOR 2-(butylamino)-8-quinolinol | | Descriptor: | 2-(butylamino)quinolin-8-ol, TYPE IV SECRETION SYSTEM PROTEIN VIRB8 | | Authors: | Coincon, M, Smith, M.A, Sygusch, J, Baron, C. | | Deposit date: | 2012-02-29 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of the Binding Site of Brucella Virb8 Interaction Inhibitors.
Chem.Biol., 19, 2012
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6YMB
 | | MicroED structure of human carbonic anhydrase II | | Descriptor: | ZINC ION, carbonic anhydrase 2 | | Authors: | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | | Cite: | Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
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6YMA
 | | MicroED structure of acetazolamide-bound human carbonic anhydrase II | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ... | | Authors: | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | | Cite: | Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
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5TLQ
 | | Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | | Descriptor: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | | Authors: | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | | Deposit date: | 2016-10-11 | | Release date: | 2017-04-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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5VJD
 | | Class II fructose-1,6-bisphosphate aldolase of Escherichia coli with DHAP | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase class 2, SODIUM ION, ... | | Authors: | Sygusch, J, Coincon, M. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
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3N9R
 | | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)-phosphoglycolohydroxamic acid, a competitive inhibitor | | Descriptor: | 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate, CHLORIDE ION, Fructose-bisphosphate aldolase, ... | | Authors: | Coincon, M, Sygusch, S. | | Deposit date: | 2010-05-31 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases.
J.Med.Chem., 53, 2010
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3N9S
 | | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)- glycolohydroxamic acid bis-phosphate, a competitive inhibitor | | Descriptor: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, CALCIUM ION, Fructose-bisphosphate aldolase, ... | | Authors: | Coincon, M, Sygusch, S. | | Deposit date: | 2010-05-31 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Rational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases.
J.Med.Chem., 53, 2010
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2MBT
 | | NMR study of PaDsbA | | Descriptor: | Thiol:disulfide interchange protein DsbA | | Authors: | Rimmer, K, Mohanty, B, Scanlon, M.J. | | Deposit date: | 2013-08-03 | | Release date: | 2014-11-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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5DCH
 | | Crystal structure of Pseudomonas aeruginosa DsbA E82I in complex with MIPS-0000851 (3-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-4-AMINE) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, GLYCEROL, ... | | Authors: | McMahon, R.M, Martin, J.L. | | Deposit date: | 2015-08-24 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.447 Å) | | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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