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5NAG
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Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(pyridin-2-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid
分子名称: 3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者Rowland, P.
登録日2017-02-27
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5NAK
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Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate L-kynurenine
分子名称: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Taylor, M, Mowat, C.G, Rowland, P.
登録日2017-02-28
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5MZC
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Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-ethoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-01-31
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献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
5NAE
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BU of 5nae by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-2-oxo-6-[(1R)-1-(pyridin-2-yl)ethoxy]-2,3-dihydro-1,3-benzoxazol-3-yl}propanoic acid
分子名称: 3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者Rowland, P.
登録日2017-02-27
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
7ZV3
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Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472
分子名称: 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
著者Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V.
登録日2022-05-13
公開日2022-07-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.
J Enzyme Inhib Med Chem, 37, 2022
5L1D
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BU of 5l1d by Molmil
Structure of rabbit RyR2 in complex with FKBP12.6 in a closed state (conformation C1)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor
著者Dhindwal, S, Lobo, J.J, Samso, M.
登録日2016-07-29
公開日2017-05-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献A cryo-EM-based model of phosphorylation- and FKBP12.6-mediated allosterism of the cardiac ryanodine receptor.
Sci.Signal., 10, 2017
6YF3
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FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution
分子名称: (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, ...
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
1B6R
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BU of 1b6r by Molmil
N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE FROM E. COLI
分子名称: PROTEIN (N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE), SULFATE ION
著者Thoden, J.B, Kappock, T.J, Stubbe, J, Holden, H.M.
登録日1999-01-17
公開日1999-11-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Three-dimensional structure of N5-carboxyaminoimidazole ribonucleotide synthetase: a member of the ATP grasp protein superfamily.
Biochemistry, 38, 1999
1BKF
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FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSUPPRESSANT FK506
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN
著者Itoh, S, Decenzo, M.T, Livingston, D.J, Pearlman, D.A, Navia, M.A.
登録日1995-10-18
公開日1996-08-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformation of Fk506 in X-Ray Structures of its Complexes with Human Recombinant Fkbp12 Mutants
Bioorg.Med.Chem.Lett., 5, 1995
5KXJ
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BU of 5kxj by Molmil
Crystal Structure of L-Aspartate Oxidase from Salmonella typhimurium in the Complex with Substrate L-Aspartate
分子名称: 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ...
著者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)
登録日2016-07-20
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structure of L-Aspartate Oxidase from Salmonella typhimurium in the Complex with Substrate L-Aspartate
To Be Published
1BSV
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BU of 1bsv by Molmil
GDP-FUCOSE SYNTHETASE FROM ESCHERICHIA COLI COMPLEX WITH NADPH
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GDP-FUCOSE SYNTHETASE)
著者Somers, W.S, Stahl, M.L, Sullivan, F.X.
登録日1998-08-31
公開日1999-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
1A7X
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FKBP12-FK1012 COMPLEX
分子名称: BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER, FKBP12
著者Schultz, L.W, Clardy, J.
登録日1998-03-18
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemical inducers of dimerization: the atomic structure of FKBP12-FK1012A-FKBP12.
Bioorg.Med.Chem.Lett., 8, 1998
5MZK
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BU of 5mzk by Molmil
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
分子名称: 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-01-31
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献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
1BL4
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FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND
分子名称: 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
著者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.
登録日1998-07-23
公開日1998-09-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity.
Proc.Natl.Acad.Sci.USA, 95, 1998
5NAB
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BU of 5nab by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-02-27
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5NAH
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BU of 5nah by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid
分子名称: 3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者Rowland, P.
登録日2017-02-27
公開日2017-06-21
最終更新日2017-07-19
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
2CZG
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BU of 2czg by Molmil
Crystal structure of Probable phosphoribosylglycinamide formyl transferase (PH0318) from Pyrococcus horikoshii OT3
分子名称: GLYCEROL, SULFATE ION, phosphoribosylglycinamide formyl transferase
著者Yoshikawa, S, Arai, R, Kamo-Uchikubo, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-07-13
公開日2006-01-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of Probable phosphoribosylglycinamide formyl transferase (PH0318) from Pyrococcus horikoshii OT3
To be Published
2CUW
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BU of 2cuw by Molmil
Crystal Structure of Thermus thermophilus PurS, one of the subunits of Formylglycinamide Ribonucleotide Amidotransferase in the purine biosynthetic pathway
分子名称: PurS
著者Yanai, H, Kanagawa, M, Sampei, G, Kawai, G, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-30
公開日2005-11-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Thermus thermophilus PurS, One of the Subunits of Formylglycinamide Ribonucleotide Amidotransferase in the Purine Biosynthetic Pathway
To be Published
2DJL
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BU of 2djl by Molmil
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate
分子名称: COBALT HEXAMMINE(III), FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K.
登録日2006-04-04
公開日2007-06-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate
To be Published
7F4U
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BU of 7f4u by Molmil
Cryo-EM structure of TELO2-TTI1-TTI2 complex
分子名称: TELO2-interacting protein 1 homolog, TELO2-interacting protein 2, Telomere length regulation protein TEL2 homolog
著者Cho, Y, Kim, Y.
登録日2021-06-21
公開日2022-06-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure of the Human TELO2-TTI1-TTI2 Complex.
J.Mol.Biol., 434, 2022
2DG9
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BU of 2dg9 by Molmil
FK506-binding protein mutant WL59 complexed with Rapamycin
分子名称: FK506-binding protein 1A, GLYCEROL, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Fulton, K.F, Jackson, S.E, Buckle, A.M.
登録日2006-03-09
公開日2006-04-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Energetic and structural analysis of the role of tryptophan 59 in FKBP12
Biochemistry, 42, 2003
2DJX
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BU of 2djx by Molmil
Crystal structure of native Trypanosoma cruzi dihydroorotate dehydrogenase
分子名称: COBALT HEXAMMINE(III), Dihydroorotate Dehydrogenase, FLAVIN MONONUCLEOTIDE
著者Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K.
登録日2006-04-05
公開日2007-06-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of native Trypanosoma cruzi dihydroorotate dehydrogenase
To be Published
2DG4
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BU of 2dg4 by Molmil
FK506-binding protein mutant WF59 complexed with Rapamycin
分子名称: FK506-binding protein 1A, GLYCEROL, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Buckle, A.M.
登録日2006-03-08
公開日2006-04-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Energetic and structural analysis of the role of tryptophan 59 in FKBP12
Biochemistry, 42, 2003
4ZK2
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Structure of Acetobacter aceti PurE-S57D
分子名称: 1,2-ETHANEDIOL, N5-carboxyaminoimidazole ribonucleotide mutase
著者Sullivan, K.L, Kappock, T.J.
登録日2015-04-29
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献Serine mutants of Acetobacter aceti PurE
To be published
3AX6
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BU of 3ax6 by Molmil
Crystal structure of N5-carboxyaminoimidazole ribonucleotide synthetase from Thermotoga maritima
分子名称: ADENOSINE-5'-DIPHOSPHATE, Phosphoribosylaminoimidazole carboxylase, ATPase subunit
著者Miyazawa, R, Kanagawa, M, Baba, S, Nakagawa, N, Ebihara, A, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2011-03-30
公開日2012-04-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of N5-carboxyaminoimidazole ribonucleotide synthetase, PurK, from thermophilic bacteria
To be Published

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