1KQ0
 
 | | Human methionine aminopeptidase type II in complex with D-methionine | | Descriptor: | D-METHIONINE, Methionine aminopeptidase 2, TERTIARY-BUTYL ALCOHOL, ... | | Authors: | Nonato, M.C, Widom, J, Clardy, J. | | Deposit date: | 2002-01-03 | | Release date: | 2003-12-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human methionine aminopeptidase type 2 in complex with L- and D-methionine
Bioorg.Med.Chem.Lett., 16, 2006
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1KQ9
 | | Human methionine aminopeptidase type II in complex with L-methionine | | Descriptor: | METHIONINE, Methionine aminopeptidase 2, TERTIARY-BUTYL ALCOHOL, ... | | Authors: | Nonato, M.C, Widom, J, Clardy, J. | | Deposit date: | 2002-01-04 | | Release date: | 2003-12-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human methionine aminopeptidase type 2 in complex with L- and D-methionine
Bioorg.Med.Chem.Lett., 16, 2006
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1KL9
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6DU9
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5F2Q
 | | C-type lectin from Bothrops jararacussu | | Descriptor: | C-type lectin BJcuL, CALCIUM ION, SODIUM ION | | Authors: | de Padua, R.A.P, Pinheiro, M.P, Sartim, M.A, Sampaio, S.V, Nonato, M.C. | | Deposit date: | 2015-12-02 | | Release date: | 2016-12-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | C-type lectin from Bothrops jararacussu
To Be Published
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1PJA
 | | The crystal structure of palmitoyl protein thioesterase-2 reveals the basis for divergent substrate specificities of the two lysosomal thioesterases (PPT1 and PPT2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Palmitoyl-protein thioesterase 2 precursor | | Authors: | Calero, G, Gupta, P, Nonato, M.C, Tandel, S, Biehl, E.R, Hofmann, S.L, Clardy, J. | | Deposit date: | 2003-06-02 | | Release date: | 2003-09-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of palmitoyl protein thioesterase-2 (PPT2) reveals the basis for divergent substrate specificities of the two lysosomal thioesterases, PPT1 and PPT2.
J.Biol.Chem., 278, 2003
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9CZE
 | | High-Resolution Structure of Human DHODH for Molecular Replacement in Fragment Screening Campaign | | Descriptor: | ACETIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Purificacao, A.D, Benz, L.S, Froes, T.Q, Weiss, M.S, Nonato, M.C. | | Deposit date: | 2024-08-05 | | Release date: | 2025-10-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Unexplored binding-sites on human DHODH identified by crystallographic fragment screening.
To Be Published
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9EG9
 | | Crystal structure of human dihydroorotate dehydrogenase in complex with lapachol | | Descriptor: | 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Purificacao, A.D, Benz, L.S, Weiss, M.S, Nonato, M.C. | | Deposit date: | 2024-11-21 | | Release date: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Crystallographic Structure of Human Dihydroorotate Dehydrogenase in Complex with the Natural Product Inhibitor Lapachol.
Acs Omega, 10, 2025
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4WZH
 | | Dihydroorotate dehydrogenase from Leishmania Viannia braziliensis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Reis, R.A.G, Lorenzato, E, Silva, V.C, Nonato, M.C. | | Deposit date: | 2014-11-19 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Recombinant production, crystallization and crystal structure determination of dihydroorotate dehydrogenase from Leishmania (Viannia) braziliensis.
Acta Crystallogr.,Sect.F, 71, 2015
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4XZP
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6MSO
 | | Crystal structure of mitochondrial fumarate hydratase from Leishmania major in a complex with inhibitor thiomalate | | Descriptor: | (2S)-2-sulfanylbutanedioic acid, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Feliciano, P.R, Drennan, C.L, Nonato, M.C. | | Deposit date: | 2018-10-17 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Crystal Structures of Fumarate Hydratases from Leishmania major in a Complex with Inhibitor 2-Thiomalate.
ACS Chem. Biol., 14, 2019
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6MSN
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9N67
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania braziliensis in complex with orotate | | Descriptor: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Froes, T.Q, Vaidergorn, M.M, Emery, F.S, Nonato, M.C. | | Deposit date: | 2025-02-05 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Barbituric Acid Derivatives as Covalent Inhibitors of Leishmania braziliensis Dihydroorotate Dehydrogenase.
J.Med.Chem., 68, 2025
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9N68
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-(3-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione | | Descriptor: | 5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Froes, T.Q, Vaidergorn, M.M, dos Santos, T, Leite, P.I.P.L, Godoi, B.F, Emery, F.S, Nonato, M.C. | | Deposit date: | 2025-02-05 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Barbituric Acid Derivatives as Covalent Inhibitors of Leishmania braziliensis Dihydroorotate Dehydrogenase.
J.Med.Chem., 68, 2025
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9N6O
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania braziliensis in complex with 5-(4-hydroxy-3-methoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione | | Descriptor: | 5-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Froes, T.Q, Vaidergorn, M.M, Leite, P.I.P.L, Godoi, B.F, dos Santos, T, Emery, F.S, Nonato, M.C. | | Deposit date: | 2025-02-05 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Barbituric Acid Derivatives as Covalent Inhibitors of Leishmania braziliensis Dihydroorotate Dehydrogenase.
J.Med.Chem., 68, 2025
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9N6Q
 | | Crystal structure of dihydroorotate dehydrogenase from Leishmania braziliensis in complex with 5-(4-hydroxy-3-methoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione | | Descriptor: | 5-ethyl-1,3-diazinane-2,4,6-trione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Froes, T.Q, Vaidergorn, M.M, Leite, P.I.P, Emery, F.S, Nonato, M.C. | | Deposit date: | 2025-02-05 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Barbituric Acid Derivatives as Covalent Inhibitors of Leishmania braziliensis Dihydroorotate Dehydrogenase.
J.Med.Chem., 68, 2025
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1S8H
 | | Crystal structure of Lys49-Phospholipase A2 from Agkistrodon contortrix laticinctus, first fatty acid free form | | Descriptor: | Phospholipase A2 homolog, SULFATE ION | | Authors: | Ambrosio, A.L.B, de Souza, D.H.F, Nonato, M.C, Selistre de Araujo, H.S, Ownby, C.L, Garratt, R.C. | | Deposit date: | 2004-02-02 | | Release date: | 2004-02-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Molecular Mechanism for Lys49-Phospholipase A2 Activity Based on Ligand-induced Conformational Change.
J.Biol.Chem., 280, 2005
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1S8I
 | | Crystal structure of Lys49-Phospholipase A2 from Agkistrodon contortrix laticinctus, second fatty acid free form | | Descriptor: | Phospholipase A2 homolog, SULFATE ION | | Authors: | Ambrosio, A.L.B, de Souza, D.H.F, Nonato, M.C, Selistre de Araujo, H.S, Ownby, C.L, Garratt, R.C. | | Deposit date: | 2004-02-02 | | Release date: | 2004-02-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.609 Å) | | Cite: | A Molecular Mechanism for Lys49-Phospholipase A2 Activity Based on Ligand-induced Conformational Change.
J.Biol.Chem., 280, 2005
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1S8G
 | | Crystal structure of Lys49-Phospholipase A2 from Agkistrodon contortrix laticinctus, fatty acid bound form | | Descriptor: | GLYCEROL, LAURIC ACID, Phospholipase A2 homolog, ... | | Authors: | Ambrosio, A.L.B, de Souza, D.H.F, Nonato, M.C, Selistre de Araujo, H.S, Ownby, C.L, Garratt, R.C. | | Deposit date: | 2004-02-02 | | Release date: | 2004-02-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Molecular Mechanism for Lys49-Phospholipase A2 Activity Based on Ligand-induced Conformational Change.
J.Biol.Chem., 280, 2005
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5K9C
 | | Crystal structure of human dihydroorotate dehydrogenase with ML390 | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
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5K9Y
 | | Crystal structure of a thermophilic xylanase A from Bacillus subtilis 1A1 quadruple mutant Q7H/G13R/S22P/S179C | | Descriptor: | Endo-1,4-beta-xylanase A | | Authors: | Pinheiro, M.P, Ferreira, T.L, Silva, S.R.B, Fuzo, C.A, Silva, S.R, Lourenzoni, M.R, Vieira, D.S, Ward, R.J, Nonato, M.C. | | Deposit date: | 2016-06-01 | | Release date: | 2017-04-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The role of local residue environmental changes in thermostable mutants of the GH11 xylanase from Bacillus subtilis.
Int. J. Biol. Macromol., 97, 2017
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5L2R
 | | Crystal structure of fumarate hydratase from Leishmania major | | Descriptor: | (2S)-2-hydroxybutanedioic acid, DI(HYDROXYETHYL)ETHER, Fumarate hydratase, ... | | Authors: | Feliciano, P.R, Drennan, C.L, Nonato, M.C. | | Deposit date: | 2016-08-02 | | Release date: | 2016-08-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.054 Å) | | Cite: | Crystal structure of an Fe-S cluster-containing fumarate hydratase enzyme from Leishmania major reveals a unique protein fold.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5K9D
 | | Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
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7RRM
 | | Structure of the human TMED1 (p24gamma1) Golgi dynamics Domain | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Transmembrane emp24 domain-containing protein 1 | | Authors: | Mota, D.C.A.M, Cardoso, I.A, Mori, R.M, Mendes, L.F.S, Nonato, M.C, Filho, A.J.C. | | Deposit date: | 2021-08-10 | | Release date: | 2021-10-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural and thermodynamic analyses of human TMED1 (p24 gamma 1) Golgi dynamics.
Biochimie, 192, 2022
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4LBQ
 | | Crystal structure of mouse galectin-1 | | Descriptor: | GLYCEROL, Galectin-1 | | Authors: | Rustiguel, J.K, Trabuco, A.C, Del Cistia Andrade, C, Stowell, S.R, Cummings, R.D, Dias-Baruffi, M, Nonato, M.C. | | Deposit date: | 2013-06-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of mouse galectin-1
To be Published
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