4XZP
 
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5CBL
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3TH1
 | | Crystal structure of chlorocatechol 1,2-dioxygenase from Pseudomonas putida | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ACETATE ION, Chlorocatechol 1,2-dioxygenase, ... | | Authors: | Rustiguel, J.K, Nonato, M.C. | | Deposit date: | 2011-08-18 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal Structure of chlorocatechol 1,2-dioxygenase from Pseudomonas putida
To be Published
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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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5UPP
 | | Crystal structure of human fumarate hydratase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fumarate hydratase, mitochondrial | | Authors: | Rangel, V.L, Ajalla, M.A, Rustiguel, J.K, Pereira de Padua, R.A, Nonato, M.C. | | Deposit date: | 2017-02-03 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural, biochemical and biophysical characterization of recombinant human fumarate hydratase.
Febs J., 2019
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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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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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9C98
 | | Yeast 20S proteasome soaked with isolated TMC-86A | | Descriptor: | MAGNESIUM ION, N-[(2S)-3-hydroxy-1-{[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]amino}-1-oxopropan-2-yl]butanamide, Probable proteasome subunit alpha type-7, ... | | Authors: | Meneghello, R, Rustiguel, J.K. | | Deposit date: | 2024-06-13 | | Release date: | 2025-04-30 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | High-throughput protein crystallography to empower natural product-based drug discovery.
Acta Crystallogr.,Sect.F, 81, 2025
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9C97
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9AW5
 | | Yeast 20S proteasome soaked with MA9 fraction E/F | | Descriptor: | (10S,11R,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Meneghello, R, Rustiguel, J.K, Fernandes, A.Z.N, Trivella, D.B.B. | | Deposit date: | 2024-03-05 | | Release date: | 2025-03-19 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (3.44 Å) | | Cite: | High-throughput protein crystallography to empower natural product-based drug discovery.
Acta Crystallogr.,Sect.F, 81, 2025
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9AW7
 | | Yeast 20S proteasome soaked with isolated TMC-95B | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, MAGNESIUM ION, ... | | Authors: | Meneghello, R, Rustiguel, J.K, Fernandes, A.Z.N, Trivella, D.B.B. | | Deposit date: | 2024-03-05 | | Release date: | 2025-03-19 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | High-throughput protein crystallography to empower natural product-based drug discovery.
Acta Crystallogr.,Sect.F, 81, 2025
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9AW3
 | | Yeast 20S proteasome soaked with MA9 crude extract | | Descriptor: | MAGNESIUM ION, PRE10 isoform 1, PRE7 isoform 1, ... | | Authors: | Meneghello, R, Rustiguel, J.K, Fernandes, A.Z.N, Trivella, D.B.B. | | Deposit date: | 2024-03-05 | | Release date: | 2025-03-19 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | High-throughput protein crystallography to empower natural product-based drug discovery.
Acta Crystallogr.,Sect.F, 81, 2025
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9AW6
 | | Yeast 20S proteasome soaked with MA9 fraction EF2 | | Descriptor: | (10S,11R,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Meneghello, R, Rustiguel, J.K, Fernandes, A.Z.N, Trivella, D.B.B. | | Deposit date: | 2024-03-05 | | Release date: | 2025-03-19 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (3.44 Å) | | Cite: | High-throughput protein crystallography to empower natural product-based drug discovery.
Acta Crystallogr.,Sect.F, 81, 2025
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