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4MB8
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BU of 4mb8 by Molmil
Evolutionary history and metabolic insights of ancient mammalian uricases
分子名称: ACETATE ION, Uricase
著者Ortlund, E.O, Murphy, M.N.
登録日2013-08-19
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4009 Å)
主引用文献Evolutionary history and metabolic insights of ancient mammalian uricases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MC8
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BU of 4mc8 by Molmil
Hedycaryol synthase in complex with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Putative sesquiterpene cyclase
著者Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J.
登録日2013-08-21
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
8CMV
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BU of 8cmv by Molmil
Engineered PETase enzyme from LCC - C09 mutant
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Leaf-branch compost cutinase
著者Bhattacharya, S, Estiri, H, Castagna, R, Parisini, E.
登録日2023-02-21
公開日2024-03-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Development of a highly active engineered PETase enzyme for polyester degradation
Biorxiv, 2024
1BZO
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BU of 1bzo by Molmil
THREE-DIMENSIONAL STRUCTURE OF PROKARYOTIC CU,ZN SUPEROXIDE DISMUTASE FROM P.LEIOGNATHI, SOLVED BY X-RAY CRYSTALLOGRAPHY.
分子名称: COPPER (II) ION, PROTEIN (SUPEROXIDE DISMUTASE), URANYL (VI) ION, ...
著者Bordo, D, Matak, D, Djinovic-Carugo, K, Rosano, C, Pesce, A, Bolognesi, M, Stroppolo, M.E, Falconi, M, Battistoni, A, Desideri, A.
登録日1998-11-02
公開日1999-04-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolutionary constraints for dimer formation in prokaryotic Cu,Zn superoxide dismutase.
J.Mol.Biol., 285, 1999
1TSH
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BU of 1tsh by Molmil
TERTIARY STRUCTURES OF THREE AMYLOIDOGENIC TRANSTHYRETIN VARIANTS AND IMPLICATIONS FOR AMYLOID FIBRIL FORMATION
分子名称: TRANSTHYRETIN
著者Schormann, N, Murrell, J.R, Benson, M.D.
登録日1996-10-16
公開日1997-04-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tertiary structures of amyloidogenic and non-amyloidogenic transthyretin variants: new model for amyloid fibril formation.
Amyloid, 5, 1998
3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE7 KE7_R7_1/3H, MAGNESIUM ION
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
2FHK
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BU of 2fhk by Molmil
Crystal structure of formylmethanofuran: tetrahydromethanopterin formyltransferase in complex with its coenzymes
分子名称: Formylmethanofuran--tetrahydromethanopterin formyltransferase, N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE, POTASSIUM ION
著者Acharya, P, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U.
登録日2005-12-25
公開日2006-03-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of formylmethanofuran: tetrahydromethanopterin formyltransferase in complex with its coenzymes
J.Mol.Biol., 357, 2006
1ACJ
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BU of 1acj by Molmil
QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
分子名称: ACETYLCHOLINESTERASE, TACRINE
著者Sussman, J.L, Harel, M, Silman, I.
登録日1993-08-18
公開日1994-08-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.
Proc.Natl.Acad.Sci.USA, 90, 1993
1ACL
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BU of 1acl by Molmil
QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
分子名称: ACETYLCHOLINESTERASE, DECAMETHONIUM ION
著者Sussman, J.L, Harel, M, Silman, I.
登録日1993-08-18
公開日1994-08-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.
Proc.Natl.Acad.Sci.USA, 90, 1993
1W5R
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BU of 1w5r by Molmil
X-ray crystallographic structure of a C70Q Mycobacterium smegmatis N- arylamine Acetyltransferase
分子名称: ARYLAMINE N-ACETYLTRANSFERASE
著者Holton, S.J, Sandy, J, Rodrigues-Lima, F, Dupret, J.-M, Bhakta, S, Noble, M.E.M, Sim, E.
登録日2004-08-09
公開日2005-05-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Investigation of the Catalytic Triad of Arylamine N-Acetyltransferases: Essential Residues Required for Acetyl Transfer to Arylamines.
Biochem.J., 390, 2005
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE07
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
5WRE
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BU of 5wre by Molmil
Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01)
分子名称: (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
著者Zhou, Z, Xu, Z.H.
登録日2016-12-01
公開日2017-02-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
2FHJ
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BU of 2fhj by Molmil
Crystal structure of formylmethanofuran: tetrahydromethanopterin formyltransferase in complex with its coenzymes
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL, ...
著者Acharya, P, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U.
登録日2005-12-25
公開日2006-03-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of formylmethanofuran: tetrahydromethanopterin formyltransferase in complex with its coenzymes
J.Mol.Biol., 357, 2006
3IIP
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BU of 3iip by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE7 R6 3/7F, POLYETHYLENE GLYCOL (N=34)
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
1N95
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BU of 1n95 by Molmil
Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives
分子名称: 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
1N94
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Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates
分子名称: 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Gwaltney II, S.L, O'Connor, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
4MC0
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BU of 4mc0 by Molmil
Hedycaryol apo
分子名称: Putative sesquiterpene cyclase
著者Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J.
登録日2013-08-21
公開日2014-01-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
3HAD
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BU of 3had by Molmil
BIOCHEMICAL CHARACTERIZATION AND STRUCTURE DETERMINATION OF HUMAN HEART SHORT CHAIN L-3-HYDROXYACYL COA DEHYDROGENASE PROVIDE INSIGHT INTO CATALYTIC MECHANISM
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (L-3-HYDROXYACYL COA DEHYDROGENASE)
著者Barycki, J.J, Bratt, J.M, Banaszak, L.J.
登録日1998-12-03
公開日2000-01-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical characterization and crystal structure determination of human heart short chain L-3-hydroxyacyl-CoA dehydrogenase provide insights into catalytic mechanism.
Biochemistry, 38, 1999
1STE
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BU of 1ste by Molmil
STAPHYLOCOCCAL ENTEROTOXIN C2 FROM STAPHYLOCOCCUS AUREUS
分子名称: STAPHYLOCOCCAL ENTEROTOXIN C2, ZINC ION
著者Acharya, K.R, Papageorgiou, A.C.
登録日1995-08-21
公開日1996-12-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the superantigen enterotoxin C2 from Staphylococcus aureus reveals a zinc-binding site.
Structure, 3, 1995
1A56
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BU of 1a56 by Molmil
PRIMARY SEQUENCE AND SOLUTION CONFORMATION OF FERRICYTOCHROME C-552 FROM NITROSOMONAS EUROPAEA, NMR, MEAN STRUCTURE REFINED WITH EXPLICIT HYDROGEN BOND CONSTRAINTS
分子名称: FERRICYTOCHROME C-552, HEME C
著者Timkovich, R, Bergmann, D, Arciero, D.M, Hooper, A.B.
登録日1998-02-20
公開日1998-10-21
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Primary sequence and solution conformation of ferrocytochrome c-552 from Nitrosomonas europaea.
Biophys.J., 75, 1998
1A8C
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BU of 1a8c by Molmil
PRIMARY SEQUENCE AND SOLUTION CONFORMATION OF FERROCYTOCHROME C-552 FROM NITROSOMONAS EUROPAEA, NMR, MEAN STRUCTURE REFINED WITHOUT HYDROGEN BOND CONSTRAINTS
分子名称: FERROCYTOCHROME C-552, HEME C
著者Timkovich, R, Bergmann, D, Arciero, D.M, Hooper, A.B.
登録日1998-03-23
公開日1998-10-21
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Primary sequence and solution conformation of ferrocytochrome c-552 from Nitrosomonas europaea.
Biophys.J., 75, 1998
4REK
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BU of 4rek by Molmil
Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution
分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
著者Zarychta, B, Lyubimov, A, Ahmed, M, Munshi, P, Guillot, B, Vrielink, A.
登録日2014-09-23
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.74 Å)
主引用文献Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis.
Acta Crystallogr.,Sect.D, 71, 2015
4KM3
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BU of 4km3 by Molmil
Discovery of a novel structural motif in methionine aminopeptidase from Streptococci with possible post-translational modification
分子名称: Methionine aminopeptidase
著者Arya, T, Addlagatta, A.
登録日2013-05-08
公開日2014-01-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a new genetic variant of methionine aminopeptidase from streptococci with possible post-translational modifications: biochemical and structural characterization.
Plos One, 8, 2013
1W6F
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BU of 1w6f by Molmil
Arylamine N-acetyltransferase from Mycobacterium smegmatis with the anti-tubercular drug isoniazid bound in the active site.
分子名称: 4-(DIAZENYLCARBONYL)PYRIDINE, ARYLAMINE N-ACETYLTRANSFERASE
著者Sandy, J, Holton, S, Fullham, E, Sim, E, Noble, M.E.M.
登録日2004-08-17
公開日2005-02-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of the Anti-Tubercular Drug Isoniazid to the Arylamine N-Acetyltransferase Protein from Mycobacterium Smegmatis
Protein Sci., 14, 2005
2QKS
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Crystal structure of a Kir3.1-prokaryotic Kir channel chimera
分子名称: Kir3.1-prokaryotic Kir channel chimera, POTASSIUM ION, nonyl beta-D-glucopyranoside
著者Nishida, M, MacKinnon, R.
登録日2007-07-11
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a Kir3.1-prokaryotic Kir channel chimera.
Embo J., 26, 2007

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