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2FT6
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BU of 2ft6 by Molmil
Structure of Cu(II)azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
分子名称: Azurin, COPPER (II) ION
著者Banfield, M.J.
登録日2006-01-24
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FT8
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BU of 2ft8 by Molmil
Structure of Cu(I)azurin, pH8, with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2006-01-24
公開日2006-04-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5XNG
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BU of 5xng by Molmil
EFK17A structure in Microgel MAA60
分子名称: Cathelicidin antimicrobial peptide
著者Datta, A, Bhunia, A.
登録日2017-05-22
公開日2018-04-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
2FT7
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BU of 2ft7 by Molmil
Structure of Cu(I)azurin at pH 6, with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2006-01-24
公開日2006-04-11
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FTA
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BU of 2fta by Molmil
Structure of Cu(II)azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPFM"
分子名称: Azurin, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
著者Banfield, M.J.
登録日2006-01-24
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5XRX
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BU of 5xrx by Molmil
EFK17DA structure in Microgel MAA60
分子名称: Cathelicidin antimicrobial peptide
著者Datta, A, Bhunia, A.
登録日2017-06-10
公開日2018-04-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
8RYS
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BU of 8rys by Molmil
Human IL-1beta, unliganded
分子名称: Interleukin-1 beta, SULFATE ION
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-09
公開日2024-03-06
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
8RYK
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BU of 8ryk by Molmil
IL-1beta in complex with macrocyclic peptide hit
分子名称: Interleukin-1 beta, Macrocyclic peptide
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-09
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
8RZB
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BU of 8rzb by Molmil
IL-1beta in complex with covalent DEL hit
分子名称: 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-12
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.836 Å)
主引用文献Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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
1GC2
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BU of 1gc2 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 (2 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
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
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
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
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
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
3FE7
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BU of 3fe7 by Molmil
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
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
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
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
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2023-11-01
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
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2023-11-01
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

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