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1U3L
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IspF with Mg and CDP
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hechst, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F.
登録日2004-07-22
公開日2004-08-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids
J.Mol.Biol., 316, 2002
1U43
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IspF with 4-diphosphocytidyl-2c-methyl-D-erythritol 2-phosphate
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE
著者Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F.
登録日2004-07-23
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids
J.Mol.Biol., 316, 2002
1U3P
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IspF native
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
著者Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F.
登録日2004-07-22
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids
J.Mol.Biol., 316, 2002
4C7N
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Crystal Structure of the synthetic peptide iM10 in complex with the coiled-coil region of MITF
分子名称: MERCURY (II) ION, MICROPHTHALMIA ASSOCIATED TRANSCRIPTION FACTOR, SYNTHETIC ALPHA-HELIX, ...
著者Wohlwend, D, Gerhardt, S, Kuekenshoener, T, Einsle, O.
登録日2013-09-23
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Improving Coiled Coil Stability While Maintaining Specificity by a Bacterial Hitchhiker Selection System.
J.Struct.Biol., 186, 2014
4HFR
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BU of 4hfr by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017.
分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
著者Ogg, D.J, Gerhardt, S, Hargreaves, D.
登録日2012-10-05
公開日2012-10-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017)
J.Med.Chem., 55, 2012
6Q9C
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Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-17
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6Q9G
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Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-18
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6Q9J
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Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129S and NuoF bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-18
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6Q9K
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Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
登録日2018-12-18
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
1P0N
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IPP:DMAPP isomerase type II, FMN complex
分子名称: FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase
著者Steinbacher, S, Kaiser, J, Gerhardt, S, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F.
登録日2003-04-10
公開日2003-06-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis
J.Mol.Biol., 329, 2003
5FFI
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BU of 5ffi by Molmil
[2Fe:2S] ferredoxin FeSII from Azotobacter vinelandii
分子名称: Dimeric (2Fe-2S) protein, FE2/S2 (INORGANIC) CLUSTER
著者Schlesier, J, Rohde, M, Gerhardt, S, Einsle, O.
登録日2015-12-18
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A Conformational Switch Triggers Nitrogenase Protection from Oxygen Damage by Shethna Protein II (FeSII).
J.Am.Chem.Soc., 138, 2016
5G4L
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BU of 5g4l by Molmil
Phloroglucinol reductase from Clostridium sp. with bound NADPH
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
著者Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M.
登録日2016-05-13
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
5G4K
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Phloroglucinol reductase from Clostridium sp. apo-form
分子名称: OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
著者Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M.
登録日2016-05-13
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
3LU8
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BU of 3lu8 by Molmil
Human serum albumin in complex with compound 3
分子名称: N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide, Serum albumin
著者Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H.
登録日2010-02-17
公開日2010-10-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions
Bioorg.Med.Chem., 18, 2010
3LU6
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BU of 3lu6 by Molmil
Human serum albumin in complex with compound 1
分子名称: Serum albumin, [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid
著者Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H.
登録日2010-02-17
公開日2010-10-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions
Bioorg.Med.Chem., 18, 2010
3LU7
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Human serum albumin in complex with compound 2
分子名称: 4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid, PHOSPHATE ION, Serum albumin
著者Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H.
登録日2010-02-17
公開日2010-10-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions
Bioorg.Med.Chem., 18, 2010
5O6K
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Structure of Polyphosphate Kinase from Meiothermus ruber N121D
分子名称: DIPHOSPHATE, PHOSPHATE ION, Polyphosphate:AMP phosphotransferase
著者Kemper, F, Gerhardt, S, Einsle, O.
登録日2017-06-06
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5O6M
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Structure of Polyphosphate Kinase from Meiothermus ruber N121D bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Polyphosphate:AMP phosphotransferase
著者Kemper, F, Gerhardt, S, Einsle, O.
登録日2017-06-06
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1JY8
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2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF)
分子名称: 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ...
著者Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F.
登録日2001-09-11
公開日2002-01-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of 2C-methyl-d-erythritol-2,4-cyclodiphosphate synthase involved in mevalonate-independent biosynthesis of isoprenoids.
J.Mol.Biol., 316, 2002
1P0K
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IPP:DMAPP isomerase type II apo structure
分子名称: Isopentenyl-diphosphate delta-isomerase, PHOSPHATE ION
著者Steinbacher, S, Kaiser, J, Gerhardt, S, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F.
登録日2003-04-10
公開日2003-06-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis
J.Mol.Biol., 329, 2003
3JT1
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Legionella pneumophila glucosyltransferase Lgt1, UDP-bound form
分子名称: Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE
著者Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O.
登録日2009-09-11
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
6Q93
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MgADP-bound Fe protein of Vanadium nitrogenase from Azotobacter vinelandii
分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Rohde, M, Gerhardt, S, Einsle, O.
登録日2018-12-17
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of VnfH, the iron protein component of vanadium nitrogenase.
J. Biol. Inorg. Chem., 23, 2018
3JSZ
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BU of 3jsz by Molmil
Legionella pneumophila glucosyltransferase Lgt1 N293A with UDP-Glc
分子名称: MAGNESIUM ION, Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O.
登録日2009-09-11
公開日2010-02-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
4NMH
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11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one
分子名称: (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O.
登録日2013-11-15
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1)
TO BE PUBLISHED
5LC9
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BU of 5lc9 by Molmil
Structure of Polyphosphate Kinase from Meiothermus ruber Apo-form
分子名称: PHOSPHATE ION, Polyphosphate:AMP phosphotransferase, SULFATE ION
著者Kemper, F, Einsle, O, Gerhardt, S.
登録日2016-06-20
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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