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6SDP	Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np Descriptor: Farnesyl diphosphate synthase, P-NITROPHENOL, SULFATE ION, ... Authors: Magari, F, Heine, A, Klebe, G. Deposit date: 2019-07-29 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np To Be Published
6SE2	Trypanosoma cruzi farnesyl diphosphate synthase apo structure with zinc ions Descriptor: Farnesyl diphosphate synthase, SULFATE ION, ZINC ION Authors: Magari, F, Heine, A, Klebe, G. Deposit date: 2019-07-29 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Trypanosoma cruzi farnesyl diphosphate synthase apo structure with zinc ions To Be Published
6SF9	Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j71 Descriptor: CAFFEINE, Farnesyl diphosphate synthase, SULFATE ION Authors: Magari, F, Heine, A, Klebe, G. Deposit date: 2019-08-01 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j71 To Be Published
6SDN	Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82 Descriptor: 4-NITROCATECHOL, Farnesyl diphosphate synthase, SULFATE ION, ... Authors: Magari, F, Heine, A, Klebe, G. Deposit date: 2019-07-29 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82 To Be Published
6SDO	Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np Descriptor: 3-nitrophenol, Farnesyl diphosphate synthase, SULFATE ION, ... Authors: Magari, F, Heine, A, Klebe, G. Deposit date: 2019-07-29 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np To Be Published
6SDQ	Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n Descriptor: 2-methoxy-5-nitro-phenol, Farnesyl diphosphate synthase, SULFATE ION, ... Authors: Magari, F, Heine, A, Klebe, G. Deposit date: 2019-07-29 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n To Be Published
6T7N	Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl diphosphate synthase, MANGANESE (II) ION Authors: Magari, F, Heine, A, Klebe, G. Deposit date: 2019-10-22 Release date: 2020-11-18 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn To Be Published
3P54	Crystal Structure of the Japanese Encephalitis Virus Envelope Protein, strain SA-14-14-2. Descriptor: envelope glycoprotein Authors: Luca, V.C, Nelson, C.A, AbiMansour, J.P, Diamond, M.S, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2010-10-07 Release date: 2010-12-08 Last modified: 2012-02-08 Method: X-RAY DIFFRACTION (2.097 Å) Cite: Crystal structure of the Japanese encephalitis virus envelope protein. J.Virol., 86, 2012
3PAC	Crystal structure of PduT a trimeric bacterial microcompartment protein with 4Fe-4S cluster binding site Descriptor: Shell protein Authors: Pang, A.H, Warren, M.J, Pickersgill, R.W. Deposit date: 2010-10-19 Release date: 2010-12-01 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Structure of PduT, a trimeric bacterial microcompartment protein with a 4Fe-4S cluster-binding site Acta Crystallogr.,Sect.D, 67, 2011
6SFA	Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions Descriptor: Farnesyl diphosphate synthase, MANGANESE (II) ION, SULFATE ION Authors: Magari, F, Heine, A, Klebe, G. Deposit date: 2019-08-01 Release date: 2020-08-26 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions To Be Published
3RK4	Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 Descriptor: CHLORIDE ION, Haloalkane dehalogenase Authors: Lahoda, M, Stsiapanava, A, Mesters, J, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. Deposit date: 2011-04-17 Release date: 2012-04-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.31 Å) Cite: Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31. Acta Crystallogr.,Sect.D, 70, 2014
1F2D	1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE Descriptor: 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION Authors: Yao, M, Ose, T, Sugimoto, H, Horiuchi, A, Nakagawa, A, Yokoi, D, Murakami, T, Honma, M, Wakatsuki, S, Tanaka, I. Deposit date: 2000-05-24 Release date: 2000-12-20 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of 1-aminocyclopropane-1-carboxylate deaminase from Hansenula saturnus. J.Biol.Chem., 275, 2000
4I61	Crystal structure of a trimeric bacterial microcompartment shell protein PduB Descriptor: Propanediol utilization protein PduB Authors: Pang, A.H, Pickersgill, R.W. Deposit date: 2012-11-29 Release date: 2014-03-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Propionaldehyde does not bind to PduB To be Published
5Y9L	Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one Descriptor: 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7 Authors: Sugawara, H. Deposit date: 2017-08-25 Release date: 2017-11-29 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
2BFN	The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane. Descriptor: (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ... Authors: Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J. Deposit date: 2004-12-09 Release date: 2006-06-26 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry Appl.Environ.Microbiol., 73, 2007
5Y6D	VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11) Descriptor: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Li, G.-B. Deposit date: 2017-08-11 Release date: 2018-01-24 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.1 Å) Cite: ((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies. Eur J Med Chem, 145, 2018
5Y6E	VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12) Descriptor: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Li, G.-B. Deposit date: 2017-08-11 Release date: 2018-01-24 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: ((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies. Eur J Med Chem, 145, 2018
5YJK	Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative Descriptor: (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7 Authors: Sugawara, H. Deposit date: 2017-10-11 Release date: 2017-12-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
1YJQ	Crystal structure of ketopantoate reductase in complex with NADP+ Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ... Authors: Lobley, C.M.C, Ciulli, A, Whitney, H.M, Williams, G, Smith, A.G, Abell, C, Blundell, T.L. Deposit date: 2005-01-15 Release date: 2005-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.09 Å) Cite: The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound. Biochemistry, 44, 2005
1GN8	PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE IN COMPLEX WITH Mn2+ATP FROM ESCHERICHIA COLI Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, ... Authors: Izard, T. Deposit date: 2001-10-03 Release date: 2002-01-17 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.83 Å) Cite: The Crystal Structures of Phosphopantetheine Adenylyltransferase with Bound Substrates Reveal the Enzyme'S Catalytic Mechanism J.Mol.Biol., 315, 2001
3HO0	Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid Descriptor: (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor gamma Authors: Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. Deposit date: 2009-06-01 Release date: 2009-10-27 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.6 Å) Cite: New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function J.Med.Chem., 52, 2009
1GY8	Trypanosoma brucei UDP-galactose 4' epimerase Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-GALACTOSE 4-EPIMERASE, URIDINE-5'-DIPHOSPHATE Authors: Shaw, M.P, Bond, C.S, Hunter, W.N. Deposit date: 2002-04-21 Release date: 2003-05-22 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2 Å) Cite: High-Resolution Crystal Structure of Trypanosoma Brucei Udp-Galactose 4'-Epimerase: A Potential Target for Structure-Based Development of Novel Trypanocides Mol.Biochem.Parasitol., 126, 2003
7CJL	Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide Descriptor: (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ... Authors: Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y. Deposit date: 2020-07-11 Release date: 2021-07-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.789 Å) Cite: Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors. Rsc Adv, 10, 2020
1J0B	Crystal Structure Analysis of the ACC deaminase homologue complexed with inhibitor Descriptor: 1-aminocyclopropane-1-carboxylate deaminase, N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID Authors: Fujino, A, Ose, T, Honma, M, Yao, M, Tanaka, I. Deposit date: 2002-11-12 Release date: 2003-05-12 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural and enzymatic properties of 1-aminocyclopropane-1-carboxylate deaminase homologue from Pyrococcus horikoshii J.Mol.Biol., 341, 2004
1XUO	X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution Descriptor: (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION Authors: Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K. Deposit date: 2004-10-26 Release date: 2005-10-26 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1 Bioorg.Med.Chem.Lett., 15, 2005

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