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2CN0
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BU of 2cn0 by Molmil
Complex of Recombinant Human Thrombin with a Designed Inhibitor
分子名称: 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE, CALCIUM ION, HIRUDIN IIA, ...
著者Hoffmann-Roder, A, Schweizer, E, Egger, J, Seiler, P, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F.
登録日2006-05-17
公開日2006-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mapping the Fluorophilicity of a Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups Into the P Pocket
Chemmedchem, 1, 2006
4ZXF
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BU of 4zxf by Molmil
Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog
分子名称: 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ...
著者Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M.
登録日2015-05-20
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
5JRV
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BU of 5jrv by Molmil
Crystal structure of Fe(II) NO-bound H-NOX protein from C. subterraneus
分子名称: IODIDE ION, Methyl-accepting chemotaxis protein, NITRIC OXIDE, ...
著者Bruegger, J, Hespen, C, Phillips-Piro, C.M, Marletta, M.A.
登録日2016-05-06
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Structural and Functional Evidence Indicates Selective Oxygen Signaling in Caldanaerobacter subterraneus H-NOX.
Acs Chem.Biol., 11, 2016
5JRX
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BU of 5jrx by Molmil
Crystal structure of Fe(II) CO-bound H-NOX protein from C. subterraneus
分子名称: CARBON MONOXIDE, Methyl-accepting chemotaxis protein, PROTOPORPHYRIN IX CONTAINING FE
著者Bruegger, J, Hespen, C, Phillips-Piro, C.M, Marletta, M.A.
登録日2016-05-06
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Evidence Indicates Selective Oxygen Signaling in Caldanaerobacter subterraneus H-NOX.
Acs Chem.Biol., 11, 2016
5JRU
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BU of 5jru by Molmil
Crystal structure of Fe(II) unliganded H-NOX protein from C. subterraneus
分子名称: Methyl-accepting chemotaxis protein, PROTOPORPHYRIN IX CONTAINING FE
著者Bruegger, J, Hespen, C, Phillips-Piro, C.M, Marletta, M.A.
登録日2016-05-06
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献Structural and Functional Evidence Indicates Selective Oxygen Signaling in Caldanaerobacter subterraneus H-NOX.
Acs Chem.Biol., 11, 2016
5MAU
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BU of 5mau by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 6.5)
分子名称: Chlorite dismutase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-11-04
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5K8Z
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BU of 5k8z by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 8.5)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Chlorite dismutase, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5K91
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BU of 5k91 by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with fluoride
分子名称: Chlorite dismutase, FLUORIDE ION, GLYCEROL, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5NKV
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BU of 5nkv by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 at pH 9.0 and 293 K.
分子名称: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2017-04-03
公開日2018-01-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5NKU
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BU of 5nku by Molmil
Joint neutron/X-ray structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425
分子名称: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2017-04-03
公開日2018-02-28
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5K90
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BU of 5k90 by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with isothiocyanate
分子名称: Chlorite dismutase, GLYCEROL, MAGNESIUM ION, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
6RB0
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BU of 6rb0 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
分子名称: EH1AB1, GLYCEROL, methyl hydrogen (R)-hexylphosphonate
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2019-04-08
公開日2019-12-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
6Z41
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BU of 6z41 by Molmil
NMR solution structure of the carbohydrate-binding module family 73 (CBM73) from Cellvibrio japonicus CjLPMO10A
分子名称: Carbohydrate binding protein, putative, cpb33A
著者Madland, E, Aachmann, F.L, Courtade, G.
登録日2020-05-22
公開日2021-05-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and functional variation of chitin-binding domains of a lytic polysaccharide monooxygenase from Cellvibrio japonicus.
J.Biol.Chem., 297, 2021
6Z40
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BU of 6z40 by Molmil
NMR solution structure of the carbohydrate-binding module family 5 (CBM5) from Cellvibrio japonicus CjLPMO10A
分子名称: Carbohydrate binding protein, putative, cpb33A
著者Madland, E, Aachmann, F.L, Courtade, G.
登録日2020-05-22
公開日2021-05-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and functional variation of chitin-binding domains of a lytic polysaccharide monooxygenase from Cellvibrio japonicus.
J.Biol.Chem., 297, 2021
8PC7
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BU of 8pc7 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
分子名称: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2023-06-09
公開日2023-07-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor.
Chem.Commun.(Camb.), 59, 2023
6I8F
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BU of 6i8f by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO
分子名称: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2018-11-20
公開日2019-11-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
6RKY
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BU of 6rky by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
分子名称: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2019-04-30
公開日2019-12-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
4DC1
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BU of 4dc1 by Molmil
Crystal Structure of Y202F Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
4DBZ
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BU of 4dbz by Molmil
Crystal Structure of V151L Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
4DC0
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BU of 4dc0 by Molmil
Crystal Structure of F189W Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.813 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
2QV2
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BU of 2qv2 by Molmil
A role of the Lowe syndrome protein OCRL in early steps of the endocytic pathway
分子名称: Inositol polyphosphate 5-phosphatase OCRL-1
著者Mao, Y, Erdman, K.S, McCrea, H.J, De Camilli, P.
登録日2007-08-07
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A role of the Lowe syndrome protein OCRL in early steps of the endocytic pathway
Dev.Cell, 13, 2007
4KEH
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BU of 4keh by Molmil
Crosslinked Crystal Structure of Type II Fatty Synthase Dehydratase, FabA, and Acyl Carrier Protein, AcpP
分子名称: Acyl carrier protein, N-{3-[DIHYDROXY(NONYL)-LAMBDA~4~-SULFANYL]PROPYL}-N~3~-[(2R)-2-HYDROXY-3,3-DIMETHYL-4-(PHOSPHONOOXY)BUTANOYL]-BETA-ALANINAMIDE, N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
著者Nguyen, C, Haushalter, R, Finzel, K, Leong, J, Le, B.C, Burkart, M, Tsai, S.C.
登録日2013-04-25
公開日2013-12-25
最終更新日2014-01-29
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Trapping the dynamic acyl carrier protein in fatty acid biosynthesis.
Nature, 505, 2014
4ZWN
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BU of 4zwn by Molmil
Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae
分子名称: Monoglyceride lipase, NITRATE ION, SODIUM ION, ...
著者Aschauer, P, Rengachari, S, Gruber, K, Oberer, M.
登録日2015-05-19
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
3B6Z
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BU of 3b6z by Molmil
Lovastatin polyketide enoyl reductase (LovC) complexed with 2'-phosphoadenosyl isomer of crotonoyl-CoA
分子名称: Enoyl reductase, GLYCEROL, S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate
著者Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C.
登録日2007-10-29
公開日2008-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
3B70
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BU of 3b70 by Molmil
Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (LovC) with bound NADP
分子名称: Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C.
登録日2007-10-29
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012

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