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2CN0
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BU of 2cn0 by Molmil
Complex of Recombinant Human Thrombin with a Designed Inhibitor
Descriptor: 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE, CALCIUM ION, HIRUDIN IIA, ...
Authors:Hoffmann-Roder, A, Schweizer, E, Egger, J, Seiler, P, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F.
Deposit date:2006-05-17
Release date:2006-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ...
Authors:Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M.
Deposit date:2015-05-20
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
5JRU
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BU of 5jru by Molmil
Crystal structure of Fe(II) unliganded H-NOX protein from C. subterraneus
Descriptor: Methyl-accepting chemotaxis protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bruegger, J, Hespen, C, Phillips-Piro, C.M, Marletta, M.A.
Deposit date:2016-05-06
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Structural and Functional Evidence Indicates Selective Oxygen Signaling in Caldanaerobacter subterraneus H-NOX.
Acs Chem.Biol., 11, 2016
5JRV
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BU of 5jrv by Molmil
Crystal structure of Fe(II) NO-bound H-NOX protein from C. subterraneus
Descriptor: IODIDE ION, Methyl-accepting chemotaxis protein, NITRIC OXIDE, ...
Authors:Bruegger, J, Hespen, C, Phillips-Piro, C.M, Marletta, M.A.
Deposit date:2016-05-06
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.953 Å)
Cite: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
Descriptor: CARBON MONOXIDE, Methyl-accepting chemotaxis protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bruegger, J, Hespen, C, Phillips-Piro, C.M, Marletta, M.A.
Deposit date:2016-05-06
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Evidence Indicates Selective Oxygen Signaling in Caldanaerobacter subterraneus H-NOX.
Acs Chem.Biol., 11, 2016
5K91
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BU of 5k91 by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with fluoride
Descriptor: Chlorite dismutase, FLUORIDE ION, GLYCEROL, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-31
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite: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
Descriptor: Chlorite dismutase, GLYCEROL, MAGNESIUM ION, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-31
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.28 Å)
Cite: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)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Chlorite dismutase, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-31
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5MAU
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BU of 5mau by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 6.5)
Descriptor: Chlorite dismutase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-11-04
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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.
Descriptor: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2017-04-03
Release date:2018-01-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2017-04-03
Release date:2018-02-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
6I8F
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BU of 6i8f by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO
Descriptor: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2018-11-20
Release date:2019-11-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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
Descriptor: Carbohydrate binding protein, putative, cpb33A
Authors:Madland, E, Aachmann, F.L, Courtade, G.
Deposit date:2020-05-22
Release date:2021-05-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Carbohydrate binding protein, putative, cpb33A
Authors:Madland, E, Aachmann, F.L, Courtade, G.
Deposit date:2020-05-22
Release date:2021-05-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2023-06-09
Release date:2023-07-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor.
Chem.Commun.(Camb.), 59, 2023
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
Descriptor: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-30
Release date:2019-12-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
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
Descriptor: EH1AB1, GLYCEROL, methyl hydrogen (R)-hexylphosphonate
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-08
Release date:2019-12-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Javidpour, P, Tsai, S.-C.
Deposit date:2012-01-16
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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
Descriptor: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Javidpour, P, Tsai, S.-C.
Deposit date:2012-01-16
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.813 Å)
Cite: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
Descriptor: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Javidpour, P, Tsai, S.-C.
Deposit date:2012-01-16
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.643 Å)
Cite:The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
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
Descriptor: 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
Authors:Nguyen, C, Haushalter, R, Finzel, K, Leong, J, Le, B.C, Burkart, M, Tsai, S.C.
Deposit date:2013-04-25
Release date:2013-12-25
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Trapping the dynamic acyl carrier protein in fatty acid biosynthesis.
Nature, 505, 2014
3B6Z
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BU of 3b6z by Molmil
Lovastatin polyketide enoyl reductase (LovC) complexed with 2'-phosphoadenosyl isomer of crotonoyl-CoA
Descriptor: 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
Authors:Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C.
Deposit date:2007-10-29
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C.
Deposit date:2007-10-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
Descriptor: Inositol polyphosphate 5-phosphatase OCRL-1
Authors:Mao, Y, Erdman, K.S, McCrea, H.J, De Camilli, P.
Deposit date:2007-08-07
Release date:2007-08-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A role of the Lowe syndrome protein OCRL in early steps of the endocytic pathway
Dev.Cell, 13, 2007
4ZWN
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BU of 4zwn by Molmil
Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae
Descriptor: Monoglyceride lipase, NITRATE ION, SODIUM ION, ...
Authors:Aschauer, P, Rengachari, S, Gruber, K, Oberer, M.
Deposit date:2015-05-19
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016

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