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1UKA
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BU of 1uka by Molmil
Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with (S)-2-methylbutyrate
分子名称: 2-METHYLBUTANOIC ACID, 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase
著者Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T.
登録日2003-08-19
公開日2004-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
1UKB
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BU of 1ukb by Molmil
Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with benzoate
分子名称: 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, BENZOIC ACID
著者Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T.
登録日2003-08-19
公開日2004-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
5AKR
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BU of 5akr by Molmil
ATOMIC RESOLUTION STRUCTURE OF NITRITE BOUND STATE OF THE ACHROMOBACTER CYCLOCLASTES CU NITRITE REDUCTASE AT 0.87 A RESOLUTION
分子名称: ACETATE ION, COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, ...
著者Blakeley, M.P, Hasnain, S.S, Antonyuk, S.V.
登録日2015-03-05
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献Sub-Atomic Resolution X-Ray Crystallography and Neutron Crystallography: Promise, Challenges and Potential.
Iucrj, 2, 2015
1UK9
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BU of 1uk9 by Molmil
Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with isovalerate
分子名称: 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, ISOVALERIC ACID
著者Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T.
登録日2003-08-19
公開日2004-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
1YJA
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BU of 1yja by Molmil
SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 20% DIMETHYLFORMAMIDE
分子名称: CALCIUM ION, SUBTILISIN 8397+1
著者Kidd, R.D, Farber, G.K.
登録日1996-01-16
公開日1996-07-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
1YJC
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BU of 1yjc by Molmil
SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 50% DIMETHYLFORMAMIDE
分子名称: CALCIUM ION, SUBTILISIN 8397+1
著者Kidd, R.D, Farber, G.K.
登録日1996-01-16
公開日1996-07-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
2HXX
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BU of 2hxx by Molmil
Aminotryptophan Barstar
分子名称: Barstar
著者Rubini, M, Lepthien, S, Golbik, R, Budisa, N.
登録日2006-08-04
公開日2006-08-22
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminotryptophan-containing barstar
BIOCHIM.BIOPHYS.ACTA, 1764, 2006
2I17
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BU of 2i17 by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
登録日2006-08-13
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
4YDN
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BU of 4ydn by Molmil
High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
分子名称: 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate, Transthyretin
著者Connelly, S, Bradbury, N.C.
登録日2015-02-22
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
5JPA
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BU of 5jpa by Molmil
Hexameric HIV-1 CA H12Y mutant
分子名称: Capsid Protein P24
著者Jacques, D.A, James, L.C.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
1Y1K
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BU of 1y1k by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58A mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-18
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
1Y3F
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BU of 1y3f by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 F69A mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-24
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
3ULP
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BU of 3ulp by Molmil
Plasmodium falciparum SSB complex with ssDNA
分子名称: DNA (35-MER), Single-strand binding protein
著者Antony, E, Lohman, T.M, Korolev, S.
登録日2011-11-11
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Plasmodium falciparum SSB Tetramer Wraps Single-Stranded DNA with Similar Topology but Opposite Polarity to E. coli SSB.
J.Mol.Biol., 420, 2012
1RZM
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BU of 1rzm by Molmil
Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHPS) from Thermotoga maritima complexed with Cd2+, PEP and E4P
分子名称: CADMIUM ION, ERYTHOSE-4-PHOSPHATE, PHOSPHOENOLPYRUVATE, ...
著者Shumilin, I.A, Bauerle, R, Wu, J, Woodard, R.W, Kretsinger, R.H.
登録日2003-12-24
公開日2004-08-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Reaction Complex of 3-Deoxy-d-arabino-heptulosonate-7-phosphate Synthase from Thermotoga maritima Refines the Catalytic Mechanism and Indicates a New Mechanism of Allosteric Regulation.
J.Mol.Biol., 341, 2004
1Y4D
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BU of 1y4d by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant
分子名称: CALCIUM ION, SODIUM ION, chymotrypsin inhibitor 2, ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-30
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
1Y3D
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BU of 1y3d by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R67A mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-24
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
6HOA
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BU of 6hoa by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44830
分子名称: 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
1MIC
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BU of 1mic by Molmil
GRAMICIDIN A: LEFT-HANDED PARALLEL DOUBLE HELICAL FORM IN METHANOL IN THE PRESENCE OF CACL2, NMR, 20 STRUCTURES
分子名称: GRAMICIDIN A
著者Chen, Y, Tucker, A, Wallace, B.A.
登録日1996-05-22
公開日1997-02-12
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Solution Structure of a Parallel Left-Handed Double-Helical Gramicidin-A Determined by 2D 1H NMR.
J.Mol.Biol., 264, 1996
1MMJ
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BU of 1mmj by Molmil
Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706
分子名称: 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID, CALCIUM ION, SULFATE ION, ...
著者Kinoshita, T.
登録日2002-09-04
公開日2002-12-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献True interaction mode of porcine pancreatic elastase with FR136706, a potent peptidyl inhibitor
Bioorg.Med.Chem.Lett., 13, 2003
1MGO
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BU of 1mgo by Molmil
Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, ...
著者Rubach, J.K, Plapp, B.V.
登録日2002-08-15
公開日2002-11-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
5I9J
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BU of 5i9j by Molmil
Structure of the cholesterol and lutein-binding domain of human STARD3 at 1.74A
分子名称: 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, SULFATE ION, ...
著者Horvath, M.P, Bernstein, P.S, Li, B, George, E.W, Tran, Q.T.
登録日2016-02-20
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure of the lutein-binding domain of human StARD3 at 1.74 angstrom resolution and model of a complex with lutein.
Acta Crystallogr.,Sect.F, 72, 2016
5I9K
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BU of 5i9k by Molmil
The structure of microsomal glutathione transferase 1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTATHIONE, Microsomal glutathione S-transferase 1, ...
著者Kuang, Q, Purhonen, P, Jegerschold, C, Morgenstern, R, Hebert, H.
登録日2016-02-20
公開日2017-07-12
最終更新日2017-08-23
実験手法ELECTRON CRYSTALLOGRAPHY (3.5 Å)
主引用文献Dead-end complex, lipid interactions and catalytic mechanism of microsomal glutathione transferase 1, an electron crystallography and mutagenesis investigation.
Sci Rep, 7, 2017
3HLL
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BU of 3hll by Molmil
Crystal Structure of Human p38alpha complexed with PH-797804
分子名称: 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ...
著者Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G.
登録日2009-05-27
公開日2009-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.
Biochemistry, 48, 2009
1MQF
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BU of 1mqf by Molmil
Compound I from Proteus mirabilis catalase
分子名称: Catalase, GLYCEROL, OXYGEN ATOM, ...
著者Andreoletti, P, Pernoud, A, Sainz, G, Gouet, P, Jouve, H.M.
登録日2002-09-16
公開日2002-10-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of Proteus mirabilis catalase in its ground state, oxidized state and in complex with formic acid.
Acta Crystallogr.,Sect.D, 59, 2003
5IA9
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BU of 5ia9 by Molmil
The structure of microsomal glutathione transferase 1 in complex with Meisenheimer complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, Microsomal glutathione S-transferase 1, ...
著者Kuang, Q, Purhonen, P, Jegerschold, C, Morgenstern, R, Hebert, H.
登録日2016-02-21
公開日2017-07-12
最終更新日2017-08-23
実験手法ELECTRON CRYSTALLOGRAPHY (3.5 Å)
主引用文献Dead-end complex, lipid interactions and catalytic mechanism of microsomal glutathione transferase 1, an electron crystallography and mutagenesis investigation.
Sci Rep, 7, 2017

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