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PDB: 1599 件

2XD2
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BU of 2xd2 by Molmil
The crystal structure of MalX from Streptococcus pneumoniae
分子名称: MALTOSE/MALTODEXTRIN-BINDING PROTEIN
著者Abbott, D.W, Higgins, M.A, Hyrnuik, S, Pluvinage, B, Lammerts van Bueren, A, Boraston, A.B.
登録日2010-04-28
公開日2010-06-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Molecular Basis of Glycogen Breakdown and Transport in Streptococcus Pneumoniae.
Mol.Microbiol., 77, 2010
2YLA
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BU of 2yla by Molmil
INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B.
登録日2011-06-01
公開日2011-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
2YJ8
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BU of 2yj8 by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2011-05-19
公開日2011-11-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
2YJB
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CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2011-05-19
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
311D
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BU of 311d by Molmil
THE ROLE OF HYDROGEN BONDING IN MINOR-GROOVE DRUG-DNA RECOGNITION. STRUCTURE OF A BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 COMPLEXED TO THE DODECANUCLEOTIDE D(CGCGAATTCGCG)2
分子名称: 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Clark, G.R, Boykin, D.W, Czarny, A, Neidle, S.
登録日1997-02-04
公開日1997-02-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a bis-amidinium derivative of hoechst 33258 complexed to dodecanucleotide d(CGCGAATTCGCG)2: the role of hydrogen bonding in minor groove drug-DNA recognition.
Nucleic Acids Res., 25, 1997
2YDA
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BU of 2yda by Molmil
Sulfolobus sulfataricus 2-keto-3-deoxygluconate aldolase Y103F,Y130F, A198F variant
分子名称: 2-KETO-3-DEOXY GLUCONATE ALDOLASE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Crennell, S.J, Royer, S.F, Angelopoulou, M, Hough, D.W, Danson, M.J, Bull, S.D.
登録日2011-03-18
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Sulfolobus Sulfataricus 2-Keto-3-Deoxygluconate Aldolase
To be Published
4W85
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Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose
分子名称: MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, beta-D-glucopyranose
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
5WGL
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BU of 5wgl by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ricolinostat (ACY-1215)
分子名称: 1,2-ETHANEDIOL, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide, CITRATE ANION, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-07-14
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5IMN
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BU of 5imn by Molmil
Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
分子名称: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
2PGH
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BU of 2pgh by Molmil
STRUCTURE DETERMINATION OF AQUOMET PORCINE HEMOGLOBIN AT 2.8 ANGSTROM RESOLUTION
分子名称: HEMOGLOBIN (AQUO MET) (ALPHA CHAIN), HEMOGLOBIN (AQUO MET) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
著者Katz, D.S, White, S.P, Huang, W, Kumar, R, Christianson, D.W.
登録日1994-09-16
公開日1994-11-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure determination of aquomet porcine hemoglobin at 2.8 A resolution.
J.Mol.Biol., 244, 1994
6M7F
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BU of 6m7f by Molmil
Wild-type Cucumene Synthase
分子名称: Cucumene Synthase
著者Blank, P.N, Pemberton, T.A, Christianson, D.W.
登録日2018-08-20
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.051 Å)
主引用文献Crystal Structure of Cucumene Synthase, a Terpenoid Cyclase That Generates a Linear Triquinane Sesquiterpene.
Biochemistry, 57, 2018
8KEM
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BU of 8kem by Molmil
PKS domains-fused AmpC EC2
分子名称: SDR family NAD(P)-dependent oxidoreductase,Beta-lactamase
著者Son, S.Y, Bae, D.W, Cha, S.S.
登録日2023-08-12
公開日2024-06-05
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.76998281 Å)
主引用文献Structural investigation of the docking domain assembly from trans-AT polyketide synthases.
Structure, 2024
8CA2
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BU of 8ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Alexander, R.S, Christianson, D.W.
登録日1991-07-09
公開日1992-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
6OFV
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BU of 6ofv by Molmil
F95Q Epi-isozizaene synthase
分子名称: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
著者Blank, P.N, Christianson, D.W.
登録日2019-04-01
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of F95Q epi-isozizaene synthase, an engineered sesquiterpene cyclase that generates biofuel precursors beta- and gamma-curcumene.
J.Struct.Biol., 207, 2019
8C3X
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BU of 8c3x by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase
分子名称: 1,2-ETHANEDIOL, Alginate lyase
著者Fredslund, F, Welner, D.W, Wilkens, C.
登録日2022-12-29
公開日2023-02-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (0.82 Å)
主引用文献Crystal structure of Paradendryphiella salina PL7C alginate lyase
To Be Published
2DEB
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BU of 2deb by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in space group C2221
分子名称: COENZYME A, Carnitine O-palmitoyltransferase II, mitochondrial, ...
著者Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
登録日2006-02-10
公開日2007-02-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
7N8C
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Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040
分子名称: 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-06-14
公開日2021-06-23
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7N89
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Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate Ac-SAVLQSGF-CONH2
分子名称: 3C-like proteinase, ACE-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-NH2
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-06-14
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography.
Iucrj, 8, 2021
6EGK
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BU of 6egk by Molmil
T181N Cucumene Synthase
分子名称: Cucumene Synthase
著者Blank, P.N, Pemberton, T.A, Christianson, D.W.
登録日2018-08-20
公開日2018-10-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of Cucumene Synthase, a Terpenoid Cyclase That Generates a Linear Triquinane Sesquiterpene.
Biochemistry, 57, 2018
7ZWJ
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BU of 7zwj by Molmil
Triculamin: an Unusual Lasso Peptide with Potent Anti-mycobacterial Activity
分子名称: Triculamin
著者Pedersen, K.D, Gotfredsen, C.H, Torring, T, Juhl, D.W.
登録日2022-05-19
公開日2022-07-13
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Triculamin: An Unusual Lasso Peptide with Potent Antimycobacterial Activity.
J.Nat.Prod., 85, 2022
5B7Z
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BU of 5b7z by Molmil
Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Ni2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, NICKEL (II) ION, ...
著者Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H.
登録日2016-06-10
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
6E5X
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Crystal structure of Ebola virus VP30 C-terminus/RBBP6 peptide complex
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase RBBP6, Minor nucleoprotein VP30
著者Liu, D, Small, G.I, Leung, D.W, Amarasinghe, G.K.
登録日2018-07-23
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protein Interaction Mapping Identifies RBBP6 as a Negative Regulator of Ebola Virus Replication.
Cell, 175, 2018
7NPP
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BU of 7npp by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with penta-mannuronic acid
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7), beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Fredslund, F, Welner, D.W, Wilkens, C.
登録日2021-02-28
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with penta-mannuronic acid
To Be Published
6OS3
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BU of 6os3 by Molmil
Crystal structure of native CymD prenyltransferase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CymD prenyltransferase
著者Roose, B.W, Christianson, D.W.
登録日2019-05-01
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
5B80
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Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Cu2+
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, COPPER (II) ION, Uncharacterized protein TM_0416
著者Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H.
登録日2016-06-10
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017

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