1CHM
 
 | | ENZYMATIC MECHANISM OF CREATINE AMIDINOHYDROLASE AS DEDUCED FROM CRYSTAL STRUCTURES | | Descriptor: | CARBAMOYL SARCOSINE, CREATINE AMIDINOHYDROLASE | | Authors: | Hoeffken, H.W, Knof, S.H, Bartlett, P.A, Huber, R, Moellering, H, Schumacher, G. | | Deposit date: | 1993-07-19 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Enzymatic mechanism of creatine amidinohydrolase as deduced from crystal structures.
J.Mol.Biol., 214, 1990
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6YL4
 | | 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 | | Descriptor: | 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 | | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | | Deposit date: | 2020-04-06 | | Release date: | 2020-10-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
J.Med.Chem., 63, 2020
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2IDF
 | | P. aeruginosa azurin N42C/M64E double mutant, BMME-linked dimer | | Descriptor: | 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ... | | Authors: | Einsle, O, de Jongh, T.E, Hoffmann, M, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W. | | Deposit date: | 2006-09-15 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Electron transfer in a crosslinked protein dimer mediated by a hydrogen-bonded network across the dimer interface
To be Published
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2E81
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2E80
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2FT8
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2FT6
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2FT7
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2FTA
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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
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8RYK
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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
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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
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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
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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
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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
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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
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3FE7
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2NAT
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2NAU
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2PJL
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2NCU
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2NCW
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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
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6CCK
 | | 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 | | Descriptor: | (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, ... | | 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 (1.61 Å) | | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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