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4BNH
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BU of 4bnh by Molmil
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
4BNM
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BU of 4bnm by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(2-methylphenoxy)phenol
分子名称: 5-HEXYL-2-(2-METHYLPHENOXY)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 (2.35 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
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BU of 4bnf by Molmil
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
6EZP
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BU of 6ezp by Molmil
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
6F06
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BU of 6f06 by Molmil
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
6EZX
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BU of 6ezx by Molmil
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
2FJ1
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BU of 2fj1 by Molmil
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
2XPV
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BU of 2xpv by Molmil
TetR(D) in complex with minocycline and magnesium.
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ...
著者Dalm, D, Proft, J, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tetr(D) in Complex with Minocycline.
To be Published
2XPW
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BU of 2xpw by Molmil
TetR(D) in complex with oxytetracycline and magnesium.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Dalm, D, Proft, J, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Tetr(D) in Complex with Oxytetracycline.
To be Published
2X9D
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BU of 2x9d by Molmil
Tet repressor (class D) in complex with iso-7-chlortetracycline
分子名称: CHLORIDE ION, ISO-7-CHLORTETRACYCLINE, TETRACYCLINE REPRESSOR PROTEIN CLASS D
著者Volkers, G, Hinrichs, W.
登録日2010-03-15
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Recognition of Drug Degradation Products by Target Proteins: Isotetracycline Binding to Tet Repressor.
J.Med.Chem., 54, 2011
2XPU
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BU of 2xpu by Molmil
TetR(D) in complex with anhydrotetracycline.
分子名称: 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, SULFATE ION, ...
著者Dalm, D, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
3BDJ
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BU of 3bdj by Molmil
Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound Oxipurinol Inhibitor
分子名称: CALCIUM ION, CARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F, Nishino, T.
登録日2007-11-14
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of inhibition of xanthine oxidoreductase by allopurinol: crystal structure of reduced bovine milk xanthine oxidoreductase bound with oxipurinol.
Nucleosides Nucleotides Nucleic Acids, 27, 2008
1DE0
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BU of 1de0 by Molmil
MODULATING THE MIDPOINT POTENTIAL OF THE [4FE-4S] CLUSTER OF THE NITROGENASE FE PROTEIN
分子名称: IRON/SULFUR CLUSTER, NITROGENASE IRON PROTEIN
著者Jang, S.B, Seefeldt, L.C, Peters, J.W.
登録日1999-11-12
公開日2000-02-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Modulating the midpoint potential of the [4Fe-4S] cluster of the nitrogenase Fe protein.
Biochemistry, 39, 2000
2VPR
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BU of 2vpr by Molmil
Tet repressor class H in complex with 5a,6- anhydrotetracycline-Mg
分子名称: 5A,6-ANHYDROTETRACYCLINE, MAGNESIUM ION, SULFATE ION, ...
著者Schuldt, L, Palm, G, Hinrichs, W.
登録日2008-03-03
公開日2008-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Tet Repressor Induction by Tetracycline: A Molecular Dynamics, Continuum Electrostatics, and Crystallographic Study
J.Mol.Biol., 378, 2008
4AUX
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BU of 4aux by Molmil
Tet repressor class D in complex with 9-nitrotetracycline
分子名称: (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Orth, P, Saenger, W, Hinrichs, W.
登録日2012-05-22
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tet Repressor Class D in Complex with 9-Nitrotetracycline and Magnesium
To be Published

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