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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4ALN
| Crystal structure of S. aureus FabI (P32) | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH] | Authors: | Schiebel, J, Kisker, C. | Deposit date: | 2012-03-04 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
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4ALI
| Crystal structure of S. aureus FabI in complex with NADP and triclosan (P1) | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 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 (2.1 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
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4ALL
| Crystal structure of S. aureus FabI in complex with NADP and triclosan (P212121) | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRICLOSAN | 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 (2.8 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
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4ALM
| Crystal structure of S. aureus FabI (P43212) | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], SULFATE ION | Authors: | Schiebel, J, Kisker, C. | Deposit date: | 2012-03-04 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
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5MTR
| Crystal structure of M. tuberculosis InhA inhibited by PT512 | Descriptor: | 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | Deposit date: | 2017-01-10 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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5MTQ
| Crystal structure of M. tuberculosis InhA inhibited by PT511 | Descriptor: | 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | Deposit date: | 2017-01-10 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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5MTP
| Crystal structure of M. tuberculosis InhA inhibited by PT514 | Descriptor: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | Deposit date: | 2017-01-10 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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6EXO
| Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-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 (1.9 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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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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5OKI
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1YD2
| Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima: Point mutant Y19F bound to the catalytic divalent cation | Descriptor: | GLYCEROL, MANGANESE (II) ION, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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5LST
| Crystal structure of the human RecQL4 helicase. | Descriptor: | ATP-dependent DNA helicase Q4, ZINC ION | Authors: | Kaiser, S, Sauer, F, Kisker, C. | Deposit date: | 2016-09-05 | Release date: | 2017-07-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The structural and functional characterization of human RecQ4 reveals insights into its helicase mechanism. Nat Commun, 8, 2017
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5OKC
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2A99
| Crystal structure of recombinant chicken sulfite oxidase at resting state | Descriptor: | CHLORIDE ION, GLYCEROL, MOLYBDENUM ATOM, ... | Authors: | Karakas, E, Wilson, H.L, Graf, T.N, Xiang, S, Jaramillo-Busquets, S, Rajagopalan, K.V, Kisker, C. | Deposit date: | 2005-07-11 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Structural insights into sulfite oxidase deficiency J.Biol.Chem., 280, 2005
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1YD6
| Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Bacillus caldotenax | Descriptor: | CHLORIDE ION, SULFATE ION, UvrC | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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2A9A
| Crystal structure of recombinant chicken sulfite oxidase with the bound product, sulfate, at the active site | Descriptor: | MOLYBDENUM ATOM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, SULFATE ION, ... | Authors: | Karakas, E, Wilson, H.L, Graf, T.N, Xiang, S, Jaramillo-Busquets, S, Rajagopalan, K.V, Kisker, C. | Deposit date: | 2005-07-11 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Structural insights into sulfite oxidase deficiency J.Biol.Chem., 280, 2005
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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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1YD0
| Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima bound to its catalytic divalent cation: manganese | Descriptor: | GLYCEROL, MANGANESE (II) ION, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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1YD1
| Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima bound to its catalytic divalent cation: magnesium | Descriptor: | GLYCEROL, MAGNESIUM ION, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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1YD3
| Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima: Point mutant Y43F bound to its catalytic divalent cation | Descriptor: | GLYCEROL, MANGANESE (II) ION, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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1YD5
| Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima: Point mutant N88A bound to its catalytic divalent cation | Descriptor: | MANGANESE (II) ION, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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1YD4
| Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima: Point mutant Y29F bound to its catalytic divalent cation | Descriptor: | MANGANESE (II) ION, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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1YCZ
| Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima | Descriptor: | GLYCEROL, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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