5NAG
 
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5NAK
 | | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate L-kynurenine | | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Taylor, M, Mowat, C.G, Rowland, P. | | Deposit date: | 2017-02-28 | | Release date: | 2017-06-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
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5MZC
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5NAE
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7ZV3
 | | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472 | | Descriptor: | 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | | Deposit date: | 2022-05-13 | | Release date: | 2022-07-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.
J Enzyme Inhib Med Chem, 37, 2022
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5L1D
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6YF3
 | | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Kallen, J. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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1B6R
 | | N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE FROM E. COLI | | Descriptor: | PROTEIN (N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE), SULFATE ION | | Authors: | Thoden, J.B, Kappock, T.J, Stubbe, J, Holden, H.M. | | Deposit date: | 1999-01-17 | | Release date: | 1999-11-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three-dimensional structure of N5-carboxyaminoimidazole ribonucleotide synthetase: a member of the ATP grasp protein superfamily.
Biochemistry, 38, 1999
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1BKF
 | | FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSUPPRESSANT FK506 | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN | | Authors: | Itoh, S, Decenzo, M.T, Livingston, D.J, Pearlman, D.A, Navia, M.A. | | Deposit date: | 1995-10-18 | | Release date: | 1996-08-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Conformation of Fk506 in X-Ray Structures of its Complexes with Human Recombinant Fkbp12 Mutants
Bioorg.Med.Chem.Lett., 5, 1995
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5KXJ
 | | Crystal Structure of L-Aspartate Oxidase from Salmonella typhimurium in the Complex with Substrate L-Aspartate | | Descriptor: | 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Osipiuk, J, Mulligan, R, Makowska-Grzyska, M, Maltseva, N, Shatsman, S, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-07-20 | | Release date: | 2016-08-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure of L-Aspartate Oxidase from Salmonella typhimurium in the Complex with Substrate L-Aspartate
To Be Published
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1BSV
 | | GDP-FUCOSE SYNTHETASE FROM ESCHERICHIA COLI COMPLEX WITH NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GDP-FUCOSE SYNTHETASE) | | Authors: | Somers, W.S, Stahl, M.L, Sullivan, F.X. | | Deposit date: | 1998-08-31 | | Release date: | 1999-08-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | GDP-fucose synthetase from Escherichia coli: structure of a unique member of the short-chain dehydrogenase/reductase family that catalyzes two distinct reactions at the same active site.
Structure, 6, 1998
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1A7X
 | | FKBP12-FK1012 COMPLEX | | Descriptor: | BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER, FKBP12 | | Authors: | Schultz, L.W, Clardy, J. | | Deposit date: | 1998-03-18 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Chemical inducers of dimerization: the atomic structure of FKBP12-FK1012A-FKBP12.
Bioorg.Med.Chem.Lett., 8, 1998
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5MZK
 | | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid | | Descriptor: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2017-01-31 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
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1BL4
 | | FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND | | Descriptor: | PROTEIN (FK506 BINDING PROTEIN), {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID | | Authors: | Hatada, M.H, Clackson, T, Yang, W, Rozamus, L.W, Amara, J, Rollins, C.T, Stevenson, L.F, Magari, S.R, Wood, S.A, Courage, N.L, Lu, X, Cerasoli Junior, F, Gilman, M, Holt, D. | | Deposit date: | 1998-07-23 | | Release date: | 1998-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity.
Proc.Natl.Acad.Sci.USA, 95, 1998
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5NAB
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5NAH
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2CZG
 | | Crystal structure of Probable phosphoribosylglycinamide formyl transferase (PH0318) from Pyrococcus horikoshii OT3 | | Descriptor: | GLYCEROL, SULFATE ION, phosphoribosylglycinamide formyl transferase | | Authors: | Yoshikawa, S, Arai, R, Kamo-Uchikubo, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-07-13 | | Release date: | 2006-01-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of Probable phosphoribosylglycinamide formyl transferase (PH0318) from Pyrococcus horikoshii OT3
To be Published
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2CUW
 | | Crystal Structure of Thermus thermophilus PurS, one of the subunits of Formylglycinamide Ribonucleotide Amidotransferase in the purine biosynthetic pathway | | Descriptor: | PurS | | Authors: | Yanai, H, Kanagawa, M, Sampei, G, Kawai, G, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-30 | | Release date: | 2005-11-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Thermus thermophilus PurS, One of the Subunits of Formylglycinamide Ribonucleotide Amidotransferase in the Purine Biosynthetic Pathway
To be Published
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2DJL
 | | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate | | Descriptor: | COBALT HEXAMMINE(III), FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | | Deposit date: | 2006-04-04 | | Release date: | 2007-06-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate
To be Published
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7F4U
 | | Cryo-EM structure of TELO2-TTI1-TTI2 complex | | Descriptor: | TELO2-interacting protein 1 homolog, TELO2-interacting protein 2, Telomere length regulation protein TEL2 homolog | | Authors: | Cho, Y, Kim, Y. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of the Human TELO2-TTI1-TTI2 Complex.
J.Mol.Biol., 434, 2022
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2DG9
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2DJX
 | | Crystal structure of native Trypanosoma cruzi dihydroorotate dehydrogenase | | Descriptor: | COBALT HEXAMMINE(III), Dihydroorotate Dehydrogenase, FLAVIN MONONUCLEOTIDE | | Authors: | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | | Deposit date: | 2006-04-05 | | Release date: | 2007-06-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of native Trypanosoma cruzi dihydroorotate dehydrogenase
To be Published
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2DG4
 | | FK506-binding protein mutant WF59 complexed with Rapamycin | | Descriptor: | FK506-binding protein 1A, GLYCEROL, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Buckle, A.M. | | Deposit date: | 2006-03-08 | | Release date: | 2006-04-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Energetic and structural analysis of the role of tryptophan 59 in FKBP12
Biochemistry, 42, 2003
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4ZK2
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3AX6
 | | Crystal structure of N5-carboxyaminoimidazole ribonucleotide synthetase from Thermotoga maritima | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphoribosylaminoimidazole carboxylase, ATPase subunit | | Authors: | Miyazawa, R, Kanagawa, M, Baba, S, Nakagawa, N, Ebihara, A, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-03-30 | | Release date: | 2012-04-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of N5-carboxyaminoimidazole ribonucleotide synthetase, PurK, from thermophilic bacteria
To be Published
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