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1GC0
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BU of 1gc0 by Molmil
CRYSTAL STRUCTURE OF THE PYRIDOXAL-5'-PHOSPHATE DEPENDENT L-METHIONINE GAMMA-LYASE FROM PSEUDOMONAS PUTIDA
分子名称: METHIONINE GAMMA-LYASE
著者Motoshima, H, Inagaki, K, Kumasaka, T, Furuichi, M, Inoue, H, Tamura, T, Esaki, N, Soda, K, Tanaka, N, Yamamoto, M, Tanaka, H.
登録日2000-07-06
公開日2002-05-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the pyridoxal 5'-phosphate dependent L-methionine gamma-lyase from Pseudomonas putida.
J.Biochem., 128, 2000
3FEA
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BU of 3fea by Molmil
Crystal Structure of HdmX bound to the p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2 at 1.33A
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Mdm4 protein, p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2
著者Kallen, J.
登録日2008-11-28
公開日2009-01-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes
J.Biol.Chem., 284, 2009
3FE7
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Crystal Structure of HdmX bound to the p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-Trp-Glu-Ac3c-Leu-NH2 at 1.35A
分子名称: Mdm4 protein, p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-Trp-Glu-Ac3c-Leu-NH2
著者Kallen, J.
登録日2008-11-28
公開日2009-01-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes
J.Biol.Chem., 284, 2009
8C3U
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BU of 8c3u by Molmil
Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist
分子名称: (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta
著者Rondeau, J.-M, Lehmann, S, Koch, E.
登録日2022-12-28
公開日2023-09-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta.
Nat Commun, 14, 2023
6YL4
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BU of 6yl4 by Molmil
Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide
分子名称: 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2
著者Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
登録日2020-04-06
公開日2020-10-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
J.Med.Chem., 63, 2020
6CCL
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BU of 6ccl by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine
分子名称: 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCK
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BU of 6cck by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
分子名称: (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCN
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BU of 6ccn by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide
分子名称: (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCM
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BU of 6ccm by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
分子名称: 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCS
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BU of 6ccs by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCO
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BU of 6cco by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid
分子名称: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
2PJL
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BU of 2pjl by Molmil
Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism
分子名称: 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE, Steroid hormone receptor ERR1
著者Kallen, J.
登録日2007-04-16
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.
J.Biol.Chem., 282, 2007
2NAT
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BU of 2nat by Molmil
Structural insights into interaction of KYE28 and lipopolysachharide
分子名称: Heparin cofactor 2
著者Bhunia, A, Malmsten, M, Datta, A.
登録日2016-01-11
公開日2016-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Role of Aromatic Amino Acids in Lipopolysaccharide and Membrane Interactions of Antimicrobial Peptides for Use in Plant Disease Control.
J. Biol. Chem., 291, 2016
2NAU
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BU of 2nau by Molmil
Solution structure of KYE28A in lipopolysachharide
分子名称: entity
著者Bhunia, A, Malmsten, M, Datta, A.
登録日2016-01-11
公開日2016-05-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Role of Aromatic Amino Acids in Lipopolysaccharide and Membrane Interactions of Antimicrobial Peptides for Use in Plant Disease Control.
J. Biol. Chem., 291, 2016
1NZR
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BU of 1nzr by Molmil
CRYSTAL STRUCTURE OF THE AZURIN MUTANT NICKEL-TRP48MET FROM PSEUDOMONAS AERUGINOSA AT 2.2 ANGSTROMS RESOLUTION
分子名称: AZURIN, NICKEL (II) ION, NITRATE ION
著者Tsai, L.-C, Sjolin, L, Langer, V, Bonander, N, Karlsson, B.G, Vanngard, T, Hammann, C, Nar, H.
登録日1994-12-09
公開日1995-02-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the azurin mutant nickel-Trp48Met from Pseudomonas aeruginosa at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
2NCU
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BU of 2ncu by Molmil
NMR structure of KYE21 in LPS micelles
分子名称: Heparin cofactor 2
著者Datta, A, Bhunia, A, Malmsten, M.
登録日2016-04-18
公開日2017-03-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects.
Sci Rep, 7, 2017
2NCW
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BU of 2ncw by Molmil
NMR structure of WWWKYE21 structure in LPS micelles
分子名称: Heparin cofactor 2
著者Datta, A, Bhunia, A.
登録日2016-04-18
公開日2017-03-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects.
Sci Rep, 7, 2017
3BNG
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BU of 3bng by Molmil
W. succinogenes NrfA Y218F
分子名称: ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
著者Lukat, P, Einsle, O.
登録日2007-12-14
公開日2008-02-26
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase
Biochemistry, 47, 2008
3BNH
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BU of 3bnh by Molmil
W. succinogenes NrfA Y218F Nitrite Complex
分子名称: ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
著者Lukat, P, Einsle, O.
登録日2007-12-14
公開日2008-02-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase
Biochemistry, 47, 2008
3BNF
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BU of 3bnf by Molmil
W. succinogenes NrfA Sulfite Complex
分子名称: ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
著者Lukat, P, Einsle, O.
登録日2007-12-14
公開日2008-02-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase
Biochemistry, 47, 2008
3BNJ
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BU of 3bnj by Molmil
W. succinogenes NrfA Y218F Sulfite Complex
分子名称: ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
著者Lukat, P, Einsle, O.
登録日2007-12-14
公開日2008-02-26
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase
Biochemistry, 47, 2008
8BWW
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BU of 8bww by Molmil
Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs
分子名称: Thrombin light chain
著者Diehl, C.
登録日2022-12-07
公開日2023-09-06
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Targeting Toll-like receptor-driven systemic inflammation by engineering an innate structural fold into drugs.
Nat Commun, 14, 2023
1AZN
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BU of 1azn by Molmil
CRYSTAL STRUCTURE OF THE AZURIN MUTANT PHE114ALA FROM PSEUDOMONAS AERUGINOSA AT 2.6 ANGSTROMS RESOLUTION
分子名称: AZURIN, COPPER (II) ION
著者Tsai, L.-C, Sjolin, L, Langer, V, Pascher, T, Nar, H.
登録日1994-05-27
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the azurin mutant Phe114Ala from Pseudomonas aeruginosa at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
2IDF
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P. aeruginosa azurin N42C/M64E double mutant, BMME-linked dimer
分子名称: 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ...
著者Einsle, O, de Jongh, T.E, Hoffmann, M, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W.
登録日2006-09-15
公開日2008-03-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Electron transfer in a crosslinked protein dimer mediated by a hydrogen-bonded network across the dimer interface
To be Published

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件を2025-07-09に公開中

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