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7OT4
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BU of 7ot4 by Molmil
Crystal structure of MsrA variant C198C206 from Escherichia coli, oxidized
Descriptor: POTASSIUM ION, Peptide methionine sulfoxide reductase MsrA
Authors:Napolitano, S, Glockshuber, R.
Deposit date:2021-06-09
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Exploring the unique mechanism of methionine sulphoxide reduction by Escherichia coli
To Be Published
7OU3
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BU of 7ou3 by Molmil
Crystal structure of Tga-AGOG, an 8-oxoguanine DNA glycosylase from Thermococcus gammatolerans
Descriptor: CHLORIDE ION, GLYCEROL, N-glycosylase/DNA lyase
Authors:Coste, F, Confalonieri, F, Castaing, B.
Deposit date:2021-06-11
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
3H54
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BU of 3h54 by Molmil
Crystal Structure of human alpha-N-acetylgalactosaminidase,complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Clark, N.E, Garman, S.C.
Deposit date:2009-04-21
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The 1.9 a structure of human alpha-N-acetylgalactosaminidase: The molecular basis of Schindler and Kanzaki diseases
J.Mol.Biol., 393, 2009
4K86
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BU of 4k86 by Molmil
Crystal structure of human prolyl-tRNA synthetase (apo form)
Descriptor: Proline--tRNA ligase, ZINC ION
Authors:Hwang, K.Y, Son, J.H, Lee, E.H.
Deposit date:2013-04-18
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone.
Acta Crystallogr.,Sect.D, 69, 2013
6D4C
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BU of 6d4c by Molmil
Crystal structure of Candida boidinii formate dehydrogenase V123G mutant complexed with NAD+ and azide
Descriptor: AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ...
Authors:Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A.
Deposit date:2018-04-17
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Acs Catalysis, 2019
4K40
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BU of 4k40 by Molmil
Peptidoglycan O-acetylesterase in action, 0 min
Descriptor: GDSL-like Lipase/Acylhydrolase family protein
Authors:Williams, A.H, Gompert Boneca, I.
Deposit date:2013-04-11
Release date:2014-09-03
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:Visualization of a substrate-induced productive conformation of the catalytic triad of the Neisseria meningitidis peptidoglycan O-acetylesterase reveals mechanistic conservation in SGNH esterase family members.
Acta Crystallogr.,Sect.D, 70, 2014
3D9G
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BU of 3d9g by Molmil
Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ...
Authors:Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
Deposit date:2008-05-27
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
3DES
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BU of 3des by Molmil
Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Phe dipeptide
Descriptor: ALANINE, MAGNESIUM ION, Muconate cycloisomerase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
Deposit date:2008-06-10
Release date:2008-11-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
3DAN
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BU of 3dan by Molmil
Crystal Structure of Allene oxide synthase
Descriptor: Cytochrome P450 74A2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, L, Wang, X.
Deposit date:2008-05-29
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modes of heme binding and substrate access for cytochrome P450 CYP74A revealed by crystal structures of allene oxide synthase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5XB8
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BU of 5xb8 by Molmil
Crystal structure of dibenzothiophene monooxygenase (TdsC) from Paenibacillus sp. A11-2
Descriptor: SULFATE ION, Thermophilic dibenzothiophene desulfurization enzyme C
Authors:Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S.
Deposit date:2017-03-16
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
J. Biol. Chem., 292, 2017
3DBM
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BU of 3dbm by Molmil
Crystal Structure of Allene oxide synthase
Descriptor: (9E,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, L, Wang, X.
Deposit date:2008-06-01
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Modes of heme binding and substrate access for cytochrome P450 CYP74A revealed by crystal structures of allene oxide synthase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3GL0
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BU of 3gl0 by Molmil
Crystal structure of dicamba monooxygenase bound to 3,6 dichlorosalicylic acid (DCSA)
Descriptor: 1,2-ETHANEDIOL, 3,6-dichloro-2-hydroxybenzoic acid, DdmC, ...
Authors:Wilson, M.A, Dumitru, R, Jiang, W.Z, Weeks, D.P.
Deposit date:2009-03-11
Release date:2009-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of dicamba monooxygenase: a Rieske nonheme oxygenase that catalyzes oxidative demethylation.
J.Mol.Biol., 392, 2009
2Q9Z
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BU of 2q9z by Molmil
Trichodiene synthase: Complex with inorganic pyrophosphate resulting from the reaction with 2-fluorofarnesyl diphosphate
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Vedula, L.S, Zhao, Y, Coates, R.M, Koyama, T, Cane, D.E, Christianson, D.W.
Deposit date:2007-06-14
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Exploring biosynthetic diversity with trichodiene synthase.
Arch.Biochem.Biophys., 466, 2007
6HWZ
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BU of 6hwz by Molmil
Selenols: a new class of Carbonic Anhydrase inhibitors
Descriptor: Carbonic anhydrase 1, ZINC ION, benzeneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2018-10-15
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Selenols: a new class of carbonic anhydrase inhibitors.
Chem. Commun. (Camb.), 55, 2019
2QVP
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BU of 2qvp by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE METALLOPEPTIDASE (SAMA_0725) FROM SHEWANELLA AMAZONENSIS SB2B AT 2.00 A RESOLUTION
Descriptor: GLYCEROL, SULFATE ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-08-08
Release date:2007-08-28
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of uncharacterized protein (YP_926603.1) from Shewanella amazonensis SB2B at 2.00 A resolution
To be published
5XDD
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BU of 5xdd by Molmil
Crystal structure of tertiary complex of TdsC from Paenibacillus sp. A11-2 with FMN and Indole
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, INDOLE, ...
Authors:Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S.
Deposit date:2017-03-28
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
J. Biol. Chem., 292, 2017
6D5D
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BU of 6d5d by Molmil
Structure of Caldicellulosiruptor danielii GH48 module of glycoside hydrolase WP_045175321
Descriptor: CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, glycoside hydrolase WP_045175321
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-04-19
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species
AIChE J., 2019
3GOB
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BU of 3gob by Molmil
Crystal Structure of Dicamba Monooxygenase with Non-heme Cobalt and DCSA
Descriptor: 3,6-dichloro-2-hydroxybenzoic acid, COBALT (II) ION, DdmC, ...
Authors:Rydel, T.J, Sturman, E.J, Moshiri, F, Brown, G.R, Qi, Y.
Deposit date:2009-03-18
Release date:2009-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation.
J.Mol.Biol., 392, 2009
2G82
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BU of 2g82 by Molmil
High Resolution Structures of Thermus aquaticus Glyceraldehyde-3-Phosphate Dehydrogenase: Role of 220's Loop Motion in Catalysis
Descriptor: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ISOPROPYL ALCOHOL, ...
Authors:Jenkins, J.L, Buencamino, R, Tanner, J.J.
Deposit date:2006-03-01
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High Resolution Structures of Thermus aquaticus Glyceraldehyde-3-Phosphate Dehydrogenase: Role of 220's Loop Motion in Catalysis
To be Published
4ONQ
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BU of 4onq by Molmil
Crystal structure of ntDRM E283S/R309S/F310S/Y590S/D591S mutant
Descriptor: DNA methyltransferase, SINEFUNGIN
Authors:Du, J, Patel, D.J.
Deposit date:2014-01-28
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Molecular Mechanism of Action of Plant DRM De Novo DNA Methyltransferases.
Cell(Cambridge,Mass.), 157, 2014
3GP5
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BU of 3gp5 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 3-phosphoglyceric acid and vanadate
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, 3-PHOSPHOGLYCERIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-20
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
3DBL
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BU of 3dbl by Molmil
Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190wt-NEDD8Ala72Gln)
Descriptor: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ...
Authors:Souphron, J, Schulman, B.A.
Deposit date:2008-06-01
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural dissection of a gating mechanism preventing misactivation of ubiquitin by NEDD8's E1.
Biochemistry, 47, 2008
6DBG
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BU of 6dbg by Molmil
Crystal Structure of VHH R303 in complex with InlB-LRR-IR
Descriptor: Internalin B, VHH R303
Authors:Brooks, C.L, Toride King, M, Huh, I.
Deposit date:2018-05-03
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
3DDF
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BU of 3ddf by Molmil
GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) pyrrolidin-2-one
Descriptor: (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Kuntz, D.A, Rose, D.R, Hoffman, D.
Deposit date:2008-06-05
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site
Bioorg.Med.Chem., 16, 2008
3DHG
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BU of 3dhg by Molmil
Crystal Structure of Toluene 4-Monoxygenase Hydroxylase
Descriptor: AZIDE ION, CALCIUM ION, FE (III) ION, ...
Authors:Bailey, L.J, Mccoy, J.G, Phillips Jr, G.N, Fox, B.G.
Deposit date:2008-06-17
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural consequences of effector protein complex formation in a diiron hydroxylase.
Proc.Natl.Acad.Sci.USA, 105, 2008

224004

数据于2024-08-21公开中

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