3BPB
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![BU of 3bpb by Molmil](/molmil-images/mine/3bpb) | Crystal structure of the dimethylarginine dimethylaminohydrolase H162G adduct with S-methyl-L-thiocitrulline | Descriptor: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine, dimethylarginine dimethylaminohydrolase | Authors: | Monzingo, A.F, Linsky, T.W, Stone, E.M, Fast, W, Robertus, J.D. | Deposit date: | 2007-12-18 | Release date: | 2008-06-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Promiscuous partitioning of a covalent intermediate common in the pentein superfamily. Chem.Biol., 15, 2008
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2R2D
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![BU of 2r2d by Molmil](/molmil-images/mine/2r2d) | Structure of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens | Descriptor: | GLYCEROL, PHOSPHATE ION, ZINC ION, ... | Authors: | Liu, D, Thomas, P.W, Momb, J, Hoang, Q, Petsko, G.A, Ringe, D, Fast, W. | Deposit date: | 2007-08-24 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens. Biochemistry, 46, 2007
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6DGE
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![BU of 6dge by Molmil](/molmil-images/mine/6dge) | Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with N5-(1-imino-2-chloroethyl)-L-lysine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine | Authors: | Monzingo, A.F, Burstein-Teitelbaum, G, Er, J.A.V, Tuley, A, Fast, W. | Deposit date: | 2018-05-17 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Dissection, Optimization, and Structural Analysis of a Covalent Irreversible DDAH1 Inhibitor. Biochemistry, 57, 2018
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4WKS
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![BU of 4wks by Molmil](/molmil-images/mine/4wks) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, ethylboronic acid | Authors: | Wu, R, Clevenger, D.K, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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4WKV
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![BU of 4wkv by Molmil](/molmil-images/mine/4wkv) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, trihydroxy(octyl)borate(1-) | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1434 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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4WKU
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![BU of 4wku by Molmil](/molmil-images/mine/4wku) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, hexyl(trihydroxy)borate(1-) | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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4WKT
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![BU of 4wkt by Molmil](/molmil-images/mine/4wkt) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | 1-BUTANE BORONIC ACID, Acyl-homoserine lactone acylase PvdQ, GLYCEROL | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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3RHY
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![BU of 3rhy by Molmil](/molmil-images/mine/3rhy) | Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with 4-chloro-2-hydroxymethylpyridine | Descriptor: | (4-chloropyridin-2-yl)methanol, N(G),N(G)-dimethylarginine dimethylaminohydrolase | Authors: | Monzingo, A.F, Johnson, C.M, Ke, Z, Yoon, D.-W, Linsky, T.W, Guo, H, Fast, W, Robertus, J.D. | Deposit date: | 2011-04-12 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | On the mechanism of dimethylarginine dimethylaminohydrolase inactivation by 4-halopyridines. J.Am.Chem.Soc., 133, 2011
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6OVZ
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![BU of 6ovz by Molmil](/molmil-images/mine/6ovz) | Crystal structure of the New Delhi metallo-beta-lactamase-1 adduct with a lysine-targeted affinity label | Descriptor: | Beta-lactamase, CALCIUM ION, ZINC ION, ... | Authors: | Monzingo, A.F, Fast, W, Thomas, P.W. | Deposit date: | 2019-05-08 | Release date: | 2019-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.017 Å) | Cite: | A Lysine-Targeted Affinity Label for Serine-beta-Lactamase Also Covalently Modifies New Delhi Metallo-beta-lactamase-1 (NDM-1). Biochemistry, 58, 2019
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3DHB
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![BU of 3dhb by Molmil](/molmil-images/mine/3dhb) | 1.4 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at The Catalytic Metal Center | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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3DHA
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![BU of 3dha by Molmil](/molmil-images/mine/3dha) | An Ultral High Resolution Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at An Alternative Site | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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3DHC
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![BU of 3dhc by Molmil](/molmil-images/mine/3dhc) | 1.3 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homocysteine Bound to The catalytic Metal Center | Descriptor: | GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homocysteine, ... | Authors: | Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2008-06-17 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Biochemistry, 47, 2008
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4ZO2
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![BU of 4zo2 by Molmil](/molmil-images/mine/4zo2) | AidC, a Dizinc Quorum-Quenching Lactonase | Descriptor: | Acylhomoserine lactonase, ZINC ION | Authors: | Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D. | Deposit date: | 2015-05-05 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity. Biochemistry, 54, 2015
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4ZO3
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![BU of 4zo3 by Molmil](/molmil-images/mine/4zo3) | AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product N-hexnoyl-L-homoserine | Descriptor: | Acylhomoserine lactonase, N-hexanoyl-L-homoserine, ZINC ION | Authors: | Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D. | Deposit date: | 2015-05-05 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity. Biochemistry, 54, 2015
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3I4A
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![BU of 3i4a by Molmil](/molmil-images/mine/3i4a) | Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D. | Deposit date: | 2009-07-01 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
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3I2E
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![BU of 3i2e by Molmil](/molmil-images/mine/3i2e) | Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. | Deposit date: | 2009-06-29 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
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5UBK
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![BU of 5ubk by Molmil](/molmil-images/mine/5ubk) | Inactive S1A/N269D-cpPvdQ mutant in complex with the pyoverdine precursor PVDIq reveals a specific binding pocket for the D-Tyr of this substrate | Descriptor: | Acyl-homoserine lactone acylase PvdQ, N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine | Authors: | Mascarenhas, R, Catlin, D, Wu, R, Clevenger, K, Fast, W, Liu, D. | Deposit date: | 2016-12-20 | Release date: | 2017-03-01 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ To Be Published
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5UBL
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![BU of 5ubl by Molmil](/molmil-images/mine/5ubl) | A circularly permuted version of PvdQ (cpPvdQ) | Descriptor: | Acyl-homoserine lactone acylase PvdQ | Authors: | Wu, R, Mascarenhas, R, Catlin, D, Clevenger, K, Fast, W, Liu, D. | Deposit date: | 2016-12-20 | Release date: | 2017-03-01 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ To Be Published
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4J5F
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![BU of 4j5f by Molmil](/molmil-images/mine/4j5f) | Crystal Structure of B. thuringiensis AiiA mutant F107W | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, ZINC ION | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2013-02-08 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis. Biochemistry, 52, 2013
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2A7M
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![BU of 2a7m by Molmil](/molmil-images/mine/2a7m) | 1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis | Descriptor: | GLYCEROL, N-acyl homoserine lactone hydrolase, ZINC ION | Authors: | Liu, D, Lepore, B.W, Petsko, G.A, Thomas, P.W, Stone, E.M, Fast, W, Ringe, D. | Deposit date: | 2005-07-05 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Three-dimensional structure of the quorum-quenching N-acyl homoserine lactone hydrolase from Bacillus thuringiensis Proc.Natl.Acad.Sci.Usa, 102, 2005
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4J5H
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![BU of 4j5h by Molmil](/molmil-images/mine/4j5h) | Crystal Structure of B. thuringiensis AiiA mutant F107W with N-decanoyl-L-homoserine bound at the active site | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, N-decanoyl-L-homoserine, ... | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | Deposit date: | 2013-02-08 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis. Biochemistry, 52, 2013
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3P8P
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![BU of 3p8p by Molmil](/molmil-images/mine/3p8p) | Crystal Structure of Human Dimethylarginine Dimethylaminohydrolase-1 (DDAH-1) variant C274S bound with N5-(1-iminopentyl)-L-ornithine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~5~-[(1E)-pentanimidoyl]-L-ornithine | Authors: | Monzingo, A.F, Lluis, M, Wang, Y, Fast, W, Robertus, J.D. | Deposit date: | 2010-10-14 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1. Chemmedchem, 6, 2011
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3P8E
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![BU of 3p8e by Molmil](/molmil-images/mine/3p8e) | Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~5~-[(1S)-1-aminopentyl]-L-ornithine | Authors: | Lluis, M, Wang, Y, Monzingo, A.F, Fast, W, Robertus, J.D. | Deposit date: | 2010-10-13 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4946 Å) | Cite: | Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1. Chemmedchem, 6, 2011
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7ULU
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![BU of 7ulu by Molmil](/molmil-images/mine/7ulu) | Human DDAH1 soaked with its inhibitor ClPyrAA | Descriptor: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Butrin, A, Zheng, Y, Tuley, A, Liu, D, Fast, W. | Deposit date: | 2022-04-05 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1 To Be Published
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7ULX
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![BU of 7ulx by Molmil](/molmil-images/mine/7ulx) | Human DDAH1 soaked with its inhibitor N4-(4-chloropyridin-2-yl)-L-asparagine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N-(pyridin-2-yl)-L-asparagine | Authors: | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | Deposit date: | 2022-04-05 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1 To Be Published
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