4D41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d41 by Molmil](/molmil-images/mine/4d41) | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(4-nitrophenoxy)phenol | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, ... | 著者 | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | 登録日 | 2014-10-26 | 公開日 | 2015-03-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
|
|
4D46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d46 by Molmil](/molmil-images/mine/4d46) | Crystal structure of E. coli FabI in complex with NAD and 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile | 分子名称: | 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Tareilus, M, Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | 登録日 | 2014-10-26 | 公開日 | 2015-03-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
|
|
4CV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cv1 by Molmil](/molmil-images/mine/4cv1) | Crystal structure of S. aureus FabI in complex with NADPH and CG400549 | 分子名称: | 1,2-ETHANEDIOL, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, CHLORIDE ION, ... | 著者 | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | 登録日 | 2014-03-22 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
|
|
4D45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d45 by Molmil](/molmil-images/mine/4d45) | Crystal structure of S. aureus FabI in complex with NADP and 5-bromo- 2-(4-chloro-2-hydroxyphenoxy)benzonitrile | 分子名称: | 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | 著者 | Tareilus, M, Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | 登録日 | 2014-10-26 | 公開日 | 2015-03-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
|
|
4CV0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cv0 by Molmil](/molmil-images/mine/4cv0) | Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell) | 分子名称: | 1,2-ETHANEDIOL, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | 著者 | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | 登録日 | 2014-03-22 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
|
|
1A6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a6i by Molmil](/molmil-images/mine/1a6i) | TET REPRESSOR, CLASS D VARIANT | 分子名称: | TETRACYCLINE REPRESSOR PROTEIN CLASS D | 著者 | Orth, P, Cordes, F, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W. | 登録日 | 1998-02-25 | 公開日 | 1999-03-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Conformational changes of the Tet repressor induced by tetracycline trapping. J.Mol.Biol., 279, 1998
|
|
3HBP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hbp by Molmil](/molmil-images/mine/3hbp) | The crystal structure of C185S mutant of recombinant sulfite oxidase with bound substrate, sulfite, at the active site | 分子名称: | HYDROXY(DIOXO)MOLYBDENUM, 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, SULFITE ION, ... | 著者 | Qiu, J.A. | 登録日 | 2009-05-04 | 公開日 | 2010-04-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structures of the C185S and C185A mutants of sulfite oxidase reveal rearrangement of the active site. Biochemistry, 49, 2010
|
|
3HBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hbg by Molmil](/molmil-images/mine/3hbg) | Structure of recombinant Chicken Liver Sulfite Oxidase mutant C185S | 分子名称: | HYDROXY(DIOXO)MOLYBDENUM, 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, Sulfite Oxidase mutant C185S | 著者 | Qiu, J.A. | 登録日 | 2009-05-04 | 公開日 | 2010-04-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The structures of the C185S and C185A mutants of sulfite oxidase reveal rearrangement of the active site. Biochemistry, 49, 2010
|
|
3HBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hbq by Molmil](/molmil-images/mine/3hbq) | Structure of recombinant Chicken Liver Sulfite Oxidase mutant Cys 185 Ala | 分子名称: | GLYCEROL, HYDROXY(DIOXO)MOLYBDENUM, 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, ... | 著者 | Qiu, J.A. | 登録日 | 2009-05-04 | 公開日 | 2010-04-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The structures of the C185S and C185A mutants of sulfite oxidase reveal rearrangement of the active site. Biochemistry, 49, 2010
|
|
5M4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m4t by Molmil](/molmil-images/mine/5m4t) | |
2B35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b35 by Molmil](/molmil-images/mine/2b35) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by triclosan | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | 著者 | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | 登録日 | 2005-09-19 | 公開日 | 2006-03-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
|
|
2B37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b37 by Molmil](/molmil-images/mine/2b37) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-octyl-2-phenoxyphenol | 分子名称: | 5-OCTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | 登録日 | 2005-09-19 | 公開日 | 2006-03-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
|
|
2B36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b36 by Molmil](/molmil-images/mine/2b36) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-pentyl-2-phenoxyphenol | 分子名称: | 5-PENTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | 登録日 | 2005-09-19 | 公開日 | 2006-03-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
|
|
1ORK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ork by Molmil](/molmil-images/mine/1ork) | TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE | 分子名称: | 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR | 著者 | Orth, P, Schnappinger, D, Sum, P.-E, Ellestad, G.A, Hillen, W, Saenger, W, Hinrichs, W. | 登録日 | 1998-05-21 | 公開日 | 1999-06-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of the tet repressor in complex with a novel tetracycline, 9-(N,N-dimethylglycylamido)- 6-demethyl-6-deoxy-tetracycline. J.Mol.Biol., 285, 1999
|
|
5O85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o85 by Molmil](/molmil-images/mine/5o85) | p34-p44 complex | 分子名称: | General transcription factor IIH subunit 2, General transcription factor IIH subunit 3, ZINC ION | 著者 | Radu, L, Poterszman, A. | 登録日 | 2017-06-12 | 公開日 | 2017-10-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | The intricate network between the p34 and p44 subunits is central to the activity of the transcription/DNA repair factor TFIIH. Nucleic Acids Res., 45, 2017
|
|
1TRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1trq by Molmil](/molmil-images/mine/1trq) | |
1TRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1trp by Molmil](/molmil-images/mine/1trp) | |
2Q1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q1y by Molmil](/molmil-images/mine/2q1y) | |
2Q1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q1x by Molmil](/molmil-images/mine/2q1x) | |
6EZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ezp by Molmil](/molmil-images/mine/6ezp) | CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide | 分子名称: | (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, Cathepsin L1, GLYCEROL | 著者 | Banner, D.W, Benz, J, Kuglstatter, A. | 登録日 | 2017-11-16 | 公開日 | 2018-04-11 | 最終更新日 | 2018-05-09 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
|
|
6EZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ezx by Molmil](/molmil-images/mine/6ezx) | CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide | 分子名称: | (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1 | 著者 | Banner, D.W, Benz, J, Kuglstatter, A. | 登録日 | 2017-11-16 | 公開日 | 2018-04-11 | 最終更新日 | 2018-05-09 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
|
|
6F06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f06 by Molmil](/molmil-images/mine/6f06) | CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide | 分子名称: | (3~{S},14~{E})-8-(azetidin-3-yl)-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, CHLORIDE ION, Cathepsin L1, ... | 著者 | Kuglstatter, A, Stihle, M. | 登録日 | 2017-11-17 | 公開日 | 2018-04-11 | 最終更新日 | 2018-05-09 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
|
|
2FJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fj1 by Molmil](/molmil-images/mine/2fj1) | Crystal Structure Analysis of Tet Repressor (class D) in Complex with 7-Chlortetracycline-Nickel(II) | 分子名称: | 7-CHLOROTETRACYCLINE, CHLORIDE ION, NICKEL (II) ION, ... | 著者 | Orth, P, Saenger, W, Palm, G.J, Hinrichs, W. | 登録日 | 2005-12-30 | 公開日 | 2007-01-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Specific binding of divalent metal ions to tetracycline and to the Tet repressor/tetracycline complex. J.Biol.Inorg.Chem., 13, 2008
|
|
4BNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bnh by Molmil](/molmil-images/mine/4bnh) | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-phenoxyphenol | 分子名称: | 5-hexyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | 登録日 | 2013-05-15 | 公開日 | 2013-06-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
|
|
4BNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bnf by Molmil](/molmil-images/mine/4bnf) | Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol | 分子名称: | 2-phenoxy-5-propyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | 登録日 | 2013-05-15 | 公開日 | 2013-06-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
|
|