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Structure of Cu(II)azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
Descriptor:	Azurin, COPPER (II) ION
Authors:	Banfield, M.J.
Deposit date:	2006-01-24
Release date:	2006-04-11
Last modified:	2023-08-30
Method:	X-RAY DIFFRACTION (1.25 Å)
Cite:	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

Structure of Cu(I)azurin, pH8, with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
Descriptor:	Azurin, COPPER (I) ION
Authors:	Banfield, M.J.
Deposit date:	2006-01-24
Release date:	2006-04-11
Last modified:	2011-07-13
Method:	X-RAY DIFFRACTION (1.55 Å)
Cite:	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

EFK17A structure in Microgel MAA60
Descriptor:	Cathelicidin antimicrobial peptide
Authors:	Datta, A, Bhunia, A.
Deposit date:	2017-05-22
Release date:	2018-04-18
Last modified:	2024-05-15
Method:	SOLUTION NMR
Cite:	Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels ACS Appl Mater Interfaces, 9, 2017

2FT7

Structure of Cu(I)azurin at pH 6, with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"
Descriptor:	Azurin, COPPER (I) ION
Authors:	Banfield, M.J.
Deposit date:	2006-01-24
Release date:	2006-04-11
Last modified:	2017-10-18
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	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

Structure of Cu(II)azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPFM"
Descriptor:	Azurin, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	Banfield, M.J.
Deposit date:	2006-01-24
Release date:	2006-04-11
Last modified:	2023-08-30
Method:	X-RAY DIFFRACTION (1.61 Å)
Cite:	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

EFK17DA structure in Microgel MAA60
Descriptor:	Cathelicidin antimicrobial peptide
Authors:	Datta, A, Bhunia, A.
Deposit date:	2017-06-10
Release date:	2018-04-18
Last modified:	2024-05-15
Method:	SOLUTION NMR
Cite:	Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels ACS Appl Mater Interfaces, 9, 2017

8RYS

Human IL-1beta, unliganded
Descriptor:	Interleukin-1 beta, SULFATE ION
Authors:	Rondeau, J.-M, Lehmann, S.
Deposit date:	2024-02-09
Release date:	2024-03-06
Last modified:	2024-06-05
Method:	X-RAY DIFFRACTION (1.16 Å)
Cite:	Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024

8RYK

IL-1beta in complex with macrocyclic peptide hit
Descriptor:	Interleukin-1 beta, Macrocyclic peptide
Authors:	Rondeau, J.-M, Lehmann, S.
Deposit date:	2024-02-09
Release date:	2024-05-22
Last modified:	2024-06-05
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024

8RZB

IL-1beta in complex with covalent DEL hit
Descriptor:	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
Authors:	Rondeau, J.-M, Lehmann, S.
Deposit date:	2024-02-12
Release date:	2024-05-22
Last modified:	2024-06-05
Method:	X-RAY DIFFRACTION (1.836 Å)
Cite:	Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024

8C3U

Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist
Descriptor:	(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
Authors:	Rondeau, J.-M, Lehmann, S, Koch, E.
Deposit date:	2022-12-28
Release date:	2023-09-13
Last modified:	2024-03-27
Method:	X-RAY DIFFRACTION (1.945 Å)
Cite:	Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta. Nat Commun, 14, 2023

1GC2

CRYSTAL STRUCTURE OF THE PYRIDOXAL-5'-PHOSPHATE DEPENDENT L-METHIONINE GAMMA-LYASE FROM PSEUDOMONAS PUTIDA
Descriptor:	METHIONINE GAMMA-LYASE
Authors:	Motoshima, H, Inagaki, K, Kumasaka, T, Furuichi, M, Inoue, H, Tamura, T, Esaki, N, Soda, K, Tanaka, N, Yamamoto, M, Tanaka, H.
Deposit date:	2000-07-06
Release date:	2002-05-08
Last modified:	2023-12-27
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Crystal structure of the pyridoxal 5'-phosphate dependent L-methionine gamma-lyase from Pseudomonas putida. J.Biochem., 128, 2000

1GC0

CRYSTAL STRUCTURE OF THE PYRIDOXAL-5'-PHOSPHATE DEPENDENT L-METHIONINE GAMMA-LYASE FROM PSEUDOMONAS PUTIDA
Descriptor:	METHIONINE GAMMA-LYASE
Authors:	Motoshima, H, Inagaki, K, Kumasaka, T, Furuichi, M, Inoue, H, Tamura, T, Esaki, N, Soda, K, Tanaka, N, Yamamoto, M, Tanaka, H.
Deposit date:	2000-07-06
Release date:	2002-05-08
Last modified:	2023-12-27
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Crystal structure of the pyridoxal 5'-phosphate dependent L-methionine gamma-lyase from Pseudomonas putida. J.Biochem., 128, 2000

6CCM

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
Descriptor:	2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:	Mamo, M, Appleton, B.A.
Deposit date:	2018-02-07
Release date:	2018-03-14
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.79 Å)
Cite:	Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018

6CCS

Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
Descriptor:	2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:	Mamo, M, Appleton, B.A.
Deposit date:	2018-02-07
Release date:	2018-03-14
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (2.06 Å)
Cite:	Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018

6CCN

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
Descriptor:	(2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:	Mamo, M, Appleton, B.A.
Deposit date:	2018-02-07
Release date:	2018-03-14
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.87 Å)
Cite:	Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018

6CCL

Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine
Descriptor:	1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
Authors:	Mamo, M, Appleton, B.A.
Deposit date:	2018-02-07
Release date:	2018-03-14
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.77 Å)
Cite:	Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018

2NAT

Structural insights into interaction of KYE28 and lipopolysachharide
Descriptor:	Heparin cofactor 2
Authors:	Bhunia, A, Malmsten, M, Datta, A.
Deposit date:	2016-01-11
Release date:	2016-05-18
Last modified:	2024-05-15
Method:	SOLUTION NMR
Cite:	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

Solution structure of KYE28A in lipopolysachharide
Descriptor:	entity
Authors:	Bhunia, A, Malmsten, M, Datta, A.
Deposit date:	2016-01-11
Release date:	2016-05-18
Last modified:	2024-05-01
Method:	SOLUTION NMR
Cite:	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

Crystal Structure of HdmX bound to the p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-Trp-Glu-Ac3c-Leu-NH2 at 1.35A
Descriptor:	Mdm4 protein, p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-Trp-Glu-Ac3c-Leu-NH2
Authors:	Kallen, J.
Deposit date:	2008-11-28
Release date:	2009-01-27
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.35 Å)
Cite:	Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes J.Biol.Chem., 284, 2009

3FEA

Crystal Structure of HdmX bound to the p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2 at 1.33A
Descriptor:	(4S)-2-METHYL-2,4-PENTANEDIOL, Mdm4 protein, p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2
Authors:	Kallen, J.
Deposit date:	2008-11-28
Release date:	2009-01-27
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.33 Å)
Cite:	Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes J.Biol.Chem., 284, 2009

2NCU

NMR structure of KYE21 in LPS micelles
Descriptor:	Heparin cofactor 2
Authors:	Datta, A, Bhunia, A, Malmsten, M.
Deposit date:	2016-04-18
Release date:	2017-03-01
Last modified:	2024-05-15
Method:	SOLUTION NMR
Cite:	Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects. Sci Rep, 7, 2017

2NCW

NMR structure of WWWKYE21 structure in LPS micelles
Descriptor:	Heparin cofactor 2
Authors:	Datta, A, Bhunia, A.
Deposit date:	2016-04-18
Release date:	2017-03-01
Last modified:	2024-05-15
Method:	SOLUTION NMR
Cite:	Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects. Sci Rep, 7, 2017

2PJL

Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism
Descriptor:	1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE, Steroid hormone receptor ERR1
Authors:	Kallen, J.
Deposit date:	2007-04-16
Release date:	2007-06-12
Last modified:	2023-08-30
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	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

W. succinogenes NrfA Y218F
Descriptor:	ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
Authors:	Lukat, P, Einsle, O.
Deposit date:	2007-12-14
Release date:	2008-02-26
Last modified:	2023-11-01
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008

3BNJ

W. succinogenes NrfA Y218F Sulfite Complex
Descriptor:	ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
Authors:	Lukat, P, Einsle, O.
Deposit date:	2007-12-14
Release date:	2008-02-26
Last modified:	2023-11-01
Method:	X-RAY DIFFRACTION (1.3 Å)
Cite:	Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008

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