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6J34
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Crystal Structure of maltotriose-complex of PulA from Klebsiella pneumoniae
分子名称: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
著者Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
登録日2019-01-09
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Acta Crystallogr D Struct Biol, 75, 2019
6JPH
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BU of 6jph by Molmil
Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila
分子名称: ACETATE ION, Alginate lyase, CALCIUM ION, ...
著者Ji, S.Q, Dix, S.R, Aziz, A, Sedelnikova, S.E, Li, F.L, Rice, D.W.
登録日2019-03-27
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.759 Å)
主引用文献The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39.
J.Biol.Chem., 294, 2019
1WVJ
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BU of 1wvj by Molmil
Exploring the GluR2 ligand-binding core in complex with the bicyclic AMPA analogue (S)-4-AHCP
分子名称: 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, GLYCEROL, SULFATE ION, ...
著者Nielsen, B.B, Pickering, D.S, Greenwood, J.R, Brehm, L, Gajhede, M, Schousboe, A, Kastrup, J.S.
登録日2004-12-15
公開日2005-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring the GluR2 ligand-binding core in complex with the bicyclical AMPA analogue (S)-4-AHCP
FEBS J., 272, 2005
3Q0Z
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BU of 3q0z by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, RNA-directed RNA polymerase, SULFATE ION
著者Sheriff, S.
登録日2010-12-16
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus.
Bioorg.Med.Chem.Lett., 21, 2011
2XD5
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BU of 2xd5 by Molmil
Structural insights into the catalytic mechanism and the role of Streptococcus pneumoniae PBP1b
分子名称: CHLORIDE ION, N-BENZOYL-D-ALANINE, PENICILLIN-BINDING PROTEIN 1B, ...
著者Macheboeuf, P, Lemaire, D, Jamin, M, Dideberg, O, Dessen, A.
登録日2010-04-29
公開日2010-05-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae Pbp1B
To be Published
4JP2
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BU of 4jp2 by Molmil
Crystal Structure of TT0495 protein from Thermus thermophilus HB8
分子名称: 2-deoxy-D-gluconate 3-dehydrogenase
著者Pampa, K.J, Lokanath, N.K, Kunishima, N, Ravishnkar Rai, V.
登録日2013-03-19
公開日2014-03-19
最終更新日2014-08-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献The first crystal structure of NAD-dependent 3-dehydro-2-deoxy-D-gluconate dehydrogenase from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 70, 2014
6GH3
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BU of 6gh3 by Molmil
Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-man-1-phosphate bound
分子名称: 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, CHLORIDE ION, ...
著者Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A.
登録日2018-05-04
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy.
Chembiochem, 20, 2019
5Z03
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BU of 5z03 by Molmil
Mutant (S106A) Escherichia coli L,D-carboxypeptidase A (LdcA)
分子名称: Murein tetrapeptide carboxypeptidase
著者Meyer, K, Tame, J.R.H.
登録日2017-12-18
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献The crystal structure and oligomeric form of Escherichia colil,d-carboxypeptidase A.
Biochem. Biophys. Res. Commun., 499, 2018
4JGI
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BU of 4jgi by Molmil
1.5 Angstrom crystal structure of a novel cobalamin-binding protein from Desulfitobacterium hafniense DCB-2
分子名称: CO-METHYLCOBALAMIN, Putative uncharacterized protein
著者Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D.
登録日2013-03-01
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the cobalamin-binding protein of a putative O-demethylase from Desulfitobacterium hafniense DCB-2.
Acta Crystallogr.,Sect.D, 69, 2013
4JP3
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Crystal Structure of TT0495 protein from Thermus thermophilus HB8
分子名称: 2-deoxy-D-gluconate 3-dehydrogenase, CITRIC ACID
著者Pampa, K.J, Lokanath, N.K, Kunishima, N, Ravishnkar Rai, V.
登録日2013-03-19
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The first crystal structure of NAD-dependent 3-dehydro-2-deoxy-D-gluconate dehydrogenase from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 70, 2014
9F9Y
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BU of 9f9y by Molmil
SARS-CoV-2 BA-2.87.1 Spike ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
著者Ren, J, Stuart, D.I, Duyvesteyn, H.M.E.
登録日2024-05-09
公開日2024-08-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Concerted deletions eliminate a neutralizing supersite in SARS-CoV-2 BA.2.87.1 spike.
Structure, 32, 2024
2VX5
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BU of 2vx5 by Molmil
CELLVIBRIO JAPONICUS MANNANASE CJMAN26C MANNOSE-BOUND FORM
分子名称: CELLVIBRIO JAPONICUS MANNANASE CJMAN26C, SODIUM ION, beta-D-mannopyranose
著者Cartmell, A, Topakas, E, Ducros, V.M.-A, Suits, M.D.L, Davies, G.J, Gilbert, H.J.
登録日2008-07-01
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The Cellvibrio Japonicus Mannanase Cjman26C Displays a Unique Exo-Mode of Action that is Conferred by Subtle Changes to the Distal Region of the Active Site.
J.Biol.Chem., 283, 2008
3MXG
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BU of 3mxg by Molmil
Structure of Shiga Toxin type 2 (Stx2) B Pentamer Mutant Q40L
分子名称: D-xylose, Shiga-like toxin 2 subunit B
著者Kovall, R.A, Vander Wielen, B.D, Friedmann, D.R, Flagler, M.J.
登録日2010-05-07
公開日2011-01-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular basis of differential B-pentamer stability of Shiga toxins 1 and 2.
Plos One, 5, 2010
5I1N
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BU of 5i1n by Molmil
Villin headpiece subdomain with a Gln26 to beta-3-homoglutamine substitution
分子名称: D-Villin headpiece subdomain, Villin-1
著者Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T.
登録日2016-02-05
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
7Q6E
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BU of 7q6e by Molmil
Beta049 fab in complex with SARS-CoV2 beta-Spike glycoprotein, The Beta mAb response underscores the antigenic distance to other SARS-CoV-2 variants
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-49 heavy chain, ...
著者Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
登録日2021-11-07
公開日2021-12-15
最終更新日2022-01-26
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
2W3B
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BU of 2w3b by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR MYCOBACTERIUM AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686)
分子名称: 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ...
著者Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
登録日2008-11-11
公開日2009-11-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
6DUM
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BU of 6dum by Molmil
ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ...
著者Buchman, C.D, Hurley, T.D.
登録日2018-06-21
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy.
J.Med.Chem., 61, 2018
4H2Z
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BU of 4h2z by Molmil
Crystal structure of human GLTP bound with 12:0 monosulfatide
分子名称: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE, ...
著者Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L.
登録日2012-09-13
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
6U1H
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BU of 6u1h by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
2N94
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NMR structure of yeast Bcd1 protein zinc finger
分子名称: Box C/D snoRNA protein 1, ZINC ION
著者Bragantini, B, Quinternet, M, Manival, X.
登録日2015-11-05
公開日2016-05-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Functional and Structural Insights of the Zinc-Finger HIT protein family members Involved in Box C/D snoRNP Biogenesis.
J.Mol.Biol., 428, 2016
7CT4
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BU of 7ct4 by Molmil
Crystal structure of D-amino acid oxidase from Rasamsonia emersonii strain YA
分子名称: D-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Shimekake, Y, Hirato, Y, Okazaki, S, Funabashi, R, Goto, M, Furuichi, T, Suzuki, H, Takahashi, S.
登録日2020-08-18
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure analysis of a unique D-amino-acid oxidase from the thermophilic fungus Rasamsonia emersonii strain YA.
Acta Crystallogr.,Sect.F, 76, 2020
5C5K
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BU of 5c5k by Molmil
Structure of the Pfr form of a canonical phytochrome
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BILIVERDINE IX ALPHA, ...
著者Burgie, E.S, Vierstra, R.D.
登録日2015-06-20
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal Structure of Deinococcus Phytochrome in the Photoactivated State Reveals a Cascade of Structural Rearrangements during Photoconversion.
Structure, 24, 2016
3A3G
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BU of 3a3g by Molmil
Crystal structure of LumP complexed with 6,7-dimethyl-8-(1'-D-ribityl) lumazine
分子名称: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Lumazine protein
著者Sato, Y.
登録日2009-06-12
公開日2009-11-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of the lumazine protein from Photobacterium kishitanii in complexes with the authentic chromophore, 6,7-dimethyl-8-(1'-D-ribityl) lumazine and its analogues, riboflavin and FMN, at high resolution
J.Bacteriol., 192, 2009
4MOQ
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Pyranose 2-oxidase V546C mutant with 2-fluorinated galactose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
登録日2013-09-12
公開日2014-02-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
4MOH
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Pyranose 2-oxidase V546C mutant with 2-fluorinated glucose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
登録日2013-09-12
公開日2014-02-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014

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