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7PCG
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BurG (holo) in complex with cyclopropane-1,1-dicarboxylate (7): Biosynthesis of cyclopropanol rings in bacterial toxins
分子名称: GLYCEROL, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
登録日2021-08-03
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
6R9M
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BU of 6r9m by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAGGAA RNA
分子名称: AAGGAA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.329 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9Q
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Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AACCAA RNA
分子名称: AACCAA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.079 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9O
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BU of 6r9o by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAGGA RNA
分子名称: AAGGA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.319 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9J
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BU of 6r9j by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with A7 RNA
分子名称: A7 RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.326 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9P
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BU of 6r9p by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAUUAA RNA
分子名称: AAUUAA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
著者Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
登録日2019-04-03
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6OIA
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BU of 6oia by Molmil
(1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase
分子名称: (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid, GLYCEROL, Ornithine aminotransferase, ...
著者Catlin, D.S, Liu, D, Moschitto, M.J, Doubleday, P.F, Kelleher, N, Silverman, R.B.
登録日2019-04-09
公開日2019-09-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid.
J.Am.Chem.Soc., 141, 2019
6OYB
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BU of 6oyb by Molmil
Crystal structure of H62G mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2019-05-14
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYE
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BU of 6oye by Molmil
Crystal structure of Y99F mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2019-05-14
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OYG
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BU of 6oyg by Molmil
Crystal structure of H62F mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2019-05-14
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6OY8
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BU of 6oy8 by Molmil
Crystal structure of Y99G mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2019-05-14
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
8F4T
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BU of 8f4t by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with proguanil
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Punetha, A, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
4TRF
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BU of 4trf by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with N-(pyridin-3-ylmethyl)thioformamide
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2014-06-16
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4TRU
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BU of 4tru by Molmil
Crystal structure of Q24A Q25A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2014-06-17
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
5XLV
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BU of 5xlv by Molmil
Mycobacterium tuberculosis Pantothenate kinase mutant F254A
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ...
著者Paul, A, Kumar, P, Surolia, A, Vijayan, M.
登録日2017-05-11
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
4LRD
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BU of 4lrd by Molmil
Phosphopentomutase 4H11 variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
5V70
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BU of 5v70 by Molmil
Crystal structure of N102A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2017-03-17
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of N102A mutant of human macrophage migration inhibitory factor
To Be Published
5UMK
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BU of 5umk by Molmil
Crystal structure of H62Y mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2017-01-27
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6RX5
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BU of 6rx5 by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 1 (NMT-C0003)
分子名称: ACETATE ION, GLYCEROL, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2019-06-07
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
5UZY
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BU of 5uzy by Molmil
Crystal structure of N97A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2017-02-27
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 57, 2018
5V73
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BU of 5v73 by Molmil
Crystal structure of N110A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2017-03-17
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of N110A mutant of human macrophage migration inhibitory factor
To Be Published
6RX0
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BU of 6rx0 by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 3 (NMT-C0013)
分子名称: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Landi, G, Pozzi, C, Mangani, S.
登録日2019-06-07
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
4NE2
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BU of 4ne2 by Molmil
Pantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniae
分子名称: (R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Hughes, S.J, Antoshchenko, T, Kim, K.P, Smil, D, Park, H.W.
登録日2013-10-28
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumoniae and Staphylococcus aureus.
Proteins, 82, 2014
3IRO
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BU of 3iro by Molmil
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase complexed with NADPH and Q-8 antifolate
分子名称: 5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine, ACETATE ION, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
登録日2009-08-24
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
4NB4
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BU of 4nb4 by Molmil
Pantothenamide-bound Pantothenate kinase from Staphylococcus aureus
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
著者Hughes, S.J, Antoshchenko, T, Smil, D, Park, H.W.
登録日2013-10-22
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumoniae and Staphylococcus aureus.
Proteins, 82, 2014

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