6EX8
 
 | | Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | | Descriptor: | (3~{S})-~{N}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease | | Authors: | Dietzel, U, Kisker, C. | | Deposit date: | 2017-11-07 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
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6EXQ
 | | Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | | Descriptor: | (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease | | Authors: | Dietzel, U, Kisker, C. | | Deposit date: | 2017-11-08 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
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6H4J
 | | Usp25 catalytic domain | | Descriptor: | CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 25 | | Authors: | Klemm, T.A, Sauer, F, Kisker, C. | | Deposit date: | 2018-07-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Differential Oligomerization of the Deubiquitinases USP25 and USP28 Regulates Their Activities.
Mol.Cell, 74, 2019
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6H4I
 | | Usp28 catalytic domain apo | | Descriptor: | SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 28 | | Authors: | Klemm, T.A, Sauer, F, Kisker, C. | | Deposit date: | 2018-07-21 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Differential Oligomerization of the Deubiquitinases USP25 and USP28 Regulates Their Activities.
Mol.Cell, 74, 2019
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6H4H
 | | Usp28 catalytic domain variant E593D in complex with UbPA | | Descriptor: | Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 28, ... | | Authors: | Klemm, T.A, Sauer, F, Kisker, C. | | Deposit date: | 2018-07-21 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Differential Oligomerization of the Deubiquitinases USP25 and USP28 Regulates Their Activities.
Mol.Cell, 74, 2019
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6H4K
 | | Structure of the Usp25 C-terminal domain | | Descriptor: | CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 25 | | Authors: | Klemm, T.A, Sauer, F, Kisker, C. | | Deposit date: | 2018-07-21 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Differential Oligomerization of the Deubiquitinases USP25 and USP28 Regulates Their Activities.
Mol.Cell, 74, 2019
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2WGF
 | | Crystal structure of Mycobacterium tuberculosis C171Q KasA variant | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Luckner, S.R, Kisker, C. | | Deposit date: | 2009-04-17 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structures of Mycobacterium Tuberculosis Kasa Show Mode of Action within Cell Wall Biosynthesis and its Inhibition by Thiolactomycin
Structure, 17, 2009
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2VSF
 | | Structure of XPD from Thermoplasma acidophilum | | Descriptor: | CALCIUM ION, DNA REPAIR HELICASE RAD3 RELATED PROTEIN, IRON/SULFUR CLUSTER | | Authors: | Kuper, J, Wolski, S.C, Truglio, J.J, Kisker, C. | | Deposit date: | 2008-04-23 | | Release date: | 2008-07-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Fes Cluster-Containing Nucleotide Excision Repair Helicase Xpd.
Plos Biol., 6, 2008
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2WGD
 | | Crystal structure of KasA of Mycobacterium tuberculosis | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Luckner, S.R, Kisker, C. | | Deposit date: | 2009-04-17 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structures of Mycobacterium Tuberculosis Kasa Show Mode of Action within Cell Wall Biosynthesis and its Inhibition by Thiolactomycin
Structure, 17, 2009
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2WGE
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2W55
 | | Crystal Structure of Xanthine Dehydrogenase (E232Q variant) from Rhodobacter capsulatus in Complex with Hypoxanthine | | Descriptor: | BARIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Doebbler, J.A, Truglio, J.J, Leimkuhler, S, Kisker, C. | | Deposit date: | 2008-12-04 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
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2W3R
 | | Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in complex with hypoxanthine | | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dietzel, U, Kuper, J, Leimkuhler, S, Kisker, C. | | Deposit date: | 2008-11-14 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
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2W3S
 | | Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in Complex with Xanthine | | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dietzel, U, Kuper, J, Leimkuhler, S, Kisker, C. | | Deposit date: | 2008-11-14 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
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2WGG
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2W54
 | | Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde | | Descriptor: | 6-HYDROXYMETHYLPTERIN, BARIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Doebbler, J.A, Truglio, J.J, Leimkuhler, S, Kisker, C. | | Deposit date: | 2008-12-04 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
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2X23
 | | crystal structure of M. tuberculosis InhA inhibited by PT70 | | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, DIMETHYL SULFOXIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], ... | | Authors: | Luckner, S.R, Liu, N, am Ende, C.W, Tonge, P.J, Kisker, C. | | Deposit date: | 2010-01-10 | | Release date: | 2010-03-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | A Slow, Tight Binding Inhibitor of Inha, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium Tuberculosis.
J.Biol.Chem., 285, 2010
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2X22
 | | crystal structure of M. tuberculosis InhA inhibited by PT70 | | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, DIMETHYL SULFOXIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], ... | | Authors: | Luckner, S.R, Liu, N, am Ende, C.W, Tonge, P.J, Kisker, C. | | Deposit date: | 2010-01-10 | | Release date: | 2010-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Slow, Tight Binding Inhibitor of Inha, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium Tuberculosis.
J.Biol.Chem., 285, 2010
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4BKQ
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519 | | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
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4BKR
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
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4BKO
 | | Enoyl-ACP reducatase FabV from Burkholderia pseudomallei (apo) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PUTATIVE REDUCTASE BURPS305_1051, ... | | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Point Mutation Changes Substrate Binding Mechanism and Inhibitor Specificity of Yersinia Pestis Enoyl- Acp Reductase Fabv
To be Published
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3ZU2
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (SIRAS) | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, SODIUM ION | | Authors: | Hirschbeck, M.W, Kuper, J, Kisker, C. | | Deposit date: | 2011-07-13 | | Release date: | 2012-01-18 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
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3ZU5
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT173 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ... | | Authors: | Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C. | | Deposit date: | 2011-07-13 | | Release date: | 2012-01-18 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
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4BKU
 | | Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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4ALK
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-ethyl- 2-phenoxyphenol | | Descriptor: | 5-ETHYL-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | | Deposit date: | 2012-03-04 | | Release date: | 2012-05-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
Structure, 20, 2012
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4ALJ
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-chloro- 2-phenoxyphenol | | Descriptor: | 5-CHLORO-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | | Deposit date: | 2012-03-04 | | Release date: | 2012-05-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
Structure, 20, 2012
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