1H70
 
 | | DDAH FROM PSEUDOMONAS AERUGINOSA. C249S MUTANT COMPLEXED WITH CITRULLINE | | Descriptor: | CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE | | Authors: | Murray-Rust, J, Leiper, J, McAlister, M, Phelan, J, Tilley, S, Santamaria, J, Vallance, P, McDonald, N. | | Deposit date: | 2001-06-30 | | Release date: | 2001-08-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the hydrolysis of cellular nitric oxide synthase inhibitors by dimethylarginine dimethylaminohydrolase.
Nat. Struct. Biol., 8, 2001
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4YA8
 | | structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394 | | Descriptor: | GLYCEROL, N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide, Plasmepsin-2 | | Authors: | Recacha, R, Leitans, J, Tars, K, Jaudzems, K. | | Deposit date: | 2015-02-17 | | Release date: | 2015-12-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.301 Å) | | Cite: | Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
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1AW9
 | | STRUCTURE OF GLUTATHIONE S-TRANSFERASE III IN APO FORM | | Descriptor: | CADMIUM ION, GLUTATHIONE S-TRANSFERASE III | | Authors: | Neuefeind, T, Huber, R, Reinemer, P, Knaeblein, J. | | Deposit date: | 1997-10-13 | | Release date: | 1998-10-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cloning, sequencing, crystallization and X-ray structure of glutathione S-transferase-III from Zea mays var. mutin: a leading enzyme in detoxification of maize herbicides.
J.Mol.Biol., 274, 1997
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1DMS
 | | STRUCTURE OF DMSO REDUCTASE | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO REDUCTASE, MOLYBDENUM (IV)OXIDE | | Authors: | Schneider, F, Loewe, J, Huber, R, Schindelin, H, Kisker, C, Knaeblein, J. | | Deposit date: | 1996-09-03 | | Release date: | 1998-07-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of dimethyl sulfoxide reductase from Rhodobacter capsulatus at 1.88 A resolution.
J.Mol.Biol., 263, 1996
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4Z22
 | | structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A | | Descriptor: | 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2 | | Authors: | Recacha, R, Leitans, J, Tars, K, Jaudzems, K. | | Deposit date: | 2015-03-28 | | Release date: | 2016-01-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.
J.Med.Chem., 59, 2016
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6TBC
 | | Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B | | Descriptor: | (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Fage, C.D, Masschelein, J. | | Deposit date: | 2019-11-01 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
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4KYZ
 | | Three-dimensional structure of triclinic form of de novo design insertion domain, Northeast Structural Genomics Consortium (NESG) Target OR327 | | Descriptor: | Designed protein OR327 | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-05-29 | | Release date: | 2013-07-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.492 Å) | | Cite: | Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
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4KY3
 | | Three-dimensional Structure of the orthorhombic crystal of computationally designed insertion domain , Northeast Structural Genomics Consortium (NESG) Target OR327 | | Descriptor: | designed protein OR327 | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-05-28 | | Release date: | 2013-06-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.964 Å) | | Cite: | Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
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6QNG
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6QN0
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6QNL
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4BGK
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate | | Descriptor: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-03-27 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4BHI
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate | | Descriptor: | 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-04-03 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4BHF
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate | | Descriptor: | 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-04-02 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4BGM
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride | | Descriptor: | 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-03-27 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4BG1
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride | | Descriptor: | 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-03-22 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4C5W
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Ethyldimethylammonio)butanoate | | Descriptor: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-09-16 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4BCW
 | | Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid | | Descriptor: | (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2012-10-03 | | Release date: | 2013-02-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
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4BHG
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoate | | Descriptor: | 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-04-02 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1-Dimethylhydrazin-1-Ium-2-Yl)Propanoate
To be Published
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5MTI
 | | Bamb_5917 Acyl-Carrier Protein | | Descriptor: | Phosphopantetheine-binding protein | | Authors: | Gallo, A, Kosol, S, Griffiths, D, Masschelein, J, Alkhalaf, L, Smith, H, Valentic, T, Tsai, S, Challis, G, Lewandowski, J.R. | | Deposit date: | 2017-01-09 | | Release date: | 2018-08-01 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural basis for chain release from the enacyloxin polyketide synthase
Nat.Chem., 2019
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3B3D
 | | B.subtilis YtbE | | Descriptor: | CALCIUM ION, Putative morphine dehydrogenase | | Authors: | Zhou, Y.F, Li, L.F, Liang, Y.H, Su, X.-D. | | Deposit date: | 2007-10-20 | | Release date: | 2008-10-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis
Protein Sci., 18, 2009
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2JAJ
 | | DDAH1 complexed with L-257 | | Descriptor: | NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1, N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE | | Authors: | Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
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2JAI
 | | DDAH1 complexed with citrulline | | Descriptor: | CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | | Authors: | Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
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8CO3
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8CO0
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