6QNG
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6QN0
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6QNL
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2V3W
| Crystal structure of the benzoylformate decarboxylase variant L461A from Pseudomonas putida | Descriptor: | BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Gocke, D, Walter, L, Gauchenova, K, Kolter, G, Knoll, M, Berthold, C.L, Schneider, G, Pleiss, J, Mueller, M, Pohl, M. | Deposit date: | 2007-06-25 | Release date: | 2008-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Protein Design of Thdp-Dependent Enzymes-Engineering Stereoselectivity. Chembiochem, 9, 2008
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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: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural basis for chain release from the enacyloxin polyketide synthase Nat.Chem., 2019
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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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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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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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4CKU
| Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor | Descriptor: | 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2 | Authors: | Tars, K, Leitans, J, Jaudzems, K. | Deposit date: | 2014-01-08 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit. Acs Med.Chem.Lett., 5, 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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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: | 2023-11-15 | 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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8JU6
| Structure of human TRPV4 with antagonist GSK279 | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-24 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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8JU5
| Structure of human TRPV4 with antagonist A1 | Descriptor: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-24 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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8JVI
| Structure of human TRPV4 with antagonist A2 | Descriptor: | Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-28 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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8JVJ
| Structure of human TRPV4 with antagonist A2 and RhoA | Descriptor: | Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-28 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 2024
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5Z1W
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5ZFL
| Crystal structure of beta-lactamase PenP mutant E166Y | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | Authors: | Pan, X, Zhao, Y. | Deposit date: | 2018-03-06 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis. Sci Rep, 10, 2020
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