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4IQC
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BU of 4iqc by Molmil
P3121 crystal form of FKBP12.6
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B
Authors:Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G.
Deposit date:2013-01-11
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6.
Acta Crystallogr.,Sect.D, 70, 2014
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
Descriptor: 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 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
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2017-07-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5MZC
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BU of 5mzc by Molmil
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
Descriptor: 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-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
1FXS
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BU of 1fxs by Molmil
GDP-FUCOSE SYNTHETASE FROM ESCHERICHIA COLI COMPLEX WITH NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GDP-FUCOSE SYNTHETASE)
Authors:Somers, W.S, Stahl, M.L, Sullivan, F.X.
Deposit date:1998-09-01
Release date:1999-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 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
6ZWM
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BU of 6zwm by Molmil
cryo-EM structure of human mTOR complex 2, overall refinement
Descriptor: ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T.
Deposit date:2020-07-28
Release date:2020-11-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The 3.2- angstrom resolution structure of human mTORC2.
Sci Adv, 6, 2020
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
Descriptor: 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
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
7BL7
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BU of 7bl7 by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form)
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Walter, P, Labesse, G, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
7BIX
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BU of 7bix by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (C2 form)
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Labesse, G, Walter, P, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
Deposit date:2021-01-13
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
1G79
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BU of 1g79 by Molmil
X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE AT 2.0 A RESOLUTION
Descriptor: BETA-MERCAPTOETHANOL, FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, ...
Authors:Safo, M.K, Musayev, F.N, di Salvo, M.L, Schirch, V.
Deposit date:2000-11-09
Release date:2000-11-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 2.0 A resolution.
J.Mol.Biol., 310, 2001
4JD4
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BU of 4jd4 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-065
Descriptor: 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-23
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-065
To be Published
1YPF
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BU of 1ypf by Molmil
Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution
Descriptor: GMP reductase
Authors:Grenha, R, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE)
Deposit date:2005-01-31
Release date:2006-02-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution.
To be Published
1YS4
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BU of 1ys4 by Molmil
Structure of Aspartate-Semialdehyde Dehydrogenase from Methanococcus jannaschii
Descriptor: Aspartate-semialdehyde dehydrogenase, MALONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Faehnle, C.R, Ohren, J.F, Viola, R.E.
Deposit date:2005-02-07
Release date:2005-11-01
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A New Branch in the Family: Structure of Aspartate-beta-semialdehyde Dehydrogenase from Methanococcus jannaschii
J.Mol.Biol., 353, 2005
5NAK
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BU of 5nak by Molmil
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
4JDB
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BU of 4jdb by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-005
Descriptor: 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2013-02-24
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-005
To be Published
5NAG
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BU of 5nag by Molmil
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
Descriptor: 3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
1XMP
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BU of 1xmp by Molmil
Crystal Structure of PurE (BA0288) from Bacillus anthracis at 1.8 Resolution
Descriptor: phosphoribosylaminoimidazole carboxylase
Authors:Boyle, M.P, Kalliomaa, A.K, Levdikov, V, Blagova, E, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S.
Deposit date:2004-10-04
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of PurE (BA0288) from Bacillus anthracis at 1.8 A resolution
Proteins, 61, 2005
5MZI
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BU of 5mzi by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5-chloro-6-cyclopropoxy-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 (1.71 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
1GFS
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BU of 1gfs by Molmil
GDP-FUCOSE SYNTHETASE FROM E. COLI
Descriptor: GDP-FUCOSE SYNTHETASE
Authors:Somers, W.S, Stahl, M.L, Sullivan, F.X.
Deposit date:1998-08-17
Release date:1999-08-17
Last modified:2024-02-07
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
1XBX
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BU of 1xbx by Molmil
Structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/R139V/T169A mutant with bound D-ribulose 5-phosphate
Descriptor: 3-keto-L-gulonate 6-phosphate decarboxylase, 5-O-phosphono-L-ribulose, MAGNESIUM ION, ...
Authors:Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I.
Deposit date:2004-08-31
Release date:2005-04-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase
Biochemistry, 44, 2005
1XPG
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BU of 1xpg by Molmil
Crystal Structure of T. maritima Cobalamin-Independent Methionine Synthase complexed with Zn2+ and Methyltetrahydrofolate
Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ...
Authors:Pejchal, R, Ludwig, M.L.
Deposit date:2004-10-08
Release date:2005-03-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication
Plos Biol., 3, 2005
4DLK
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BU of 4dlk by Molmil
Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2012-02-06
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
6HT7
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BU of 6ht7 by Molmil
Crystal structure of the WT human mitochondrial chaperonin (ADP:BeF3)14 complex
Descriptor: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
Authors:Jebara, F, Patra, M, Azem, A, Hirsch, J.
Deposit date:2018-10-03
Release date:2020-04-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of the WT human mitochondrial football Hsp60-Hsp10(ADPBeFx)14 complex
Nat Commun, 2020
5N7T
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BU of 5n7t by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-02-21
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis.
Bioorg. Med. Chem. Lett., 27, 2017
1XR2
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BU of 1xr2 by Molmil
Crystal Structure of oxidized T. maritima Cobalamin-Independent Methionine Synthase complexed with Methyltetrahydrofolate
Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ...
Authors:Pejchal, R, Ludwig, M.L.
Deposit date:2004-10-13
Release date:2005-03-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication
Plos Biol., 3, 2005

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