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6Z1W
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BU of 6z1w by Molmil
Crystal structure of human steroid carrier protein SL (SCP-2L) mutant A100C
分子名称: OXTOXYNOL-10, Peroxisomal multifunctional enzyme type 2, SULFATE ION
著者Rozeboom, H.J, Janssen, D.B.
登録日2020-05-14
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity
Acs Catalysis, 11, 2021
6ZDG
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BU of 6zdg by Molmil
Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
著者Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-06-14
公開日2020-07-29
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZER
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BU of 6zer by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with EY6A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
著者Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-06-16
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
5FNV
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BU of 5fnv by Molmil
a new complex structure of tubulin with an alpha-beta unsaturated lactone
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, Y, Naismith, J, Zhu, X.
登録日2015-11-16
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016
6T38
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BU of 6t38 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
著者Alphey, M.S, Xiao, G, Westwood, J.N.
登録日2019-10-10
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
6TQG
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BU of 6tqg by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
著者Alphey, M.S, Xiao, G, Westwood, J.N.
登録日2019-12-16
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
6T37
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BU of 6t37 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
著者Alphey, M.S, Xiao, G, Westwood, J.N.
登録日2019-10-10
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
3PS0
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BU of 3ps0 by Molmil
The structure of the CRISPR-associated protein, csa2, from Sulfolobus solfataricus
分子名称: CRISPR-Associated protein, CSA2
著者Lintner, N.G, Sdano, M, Young, M.J, Lawrence, C.M.
登録日2010-11-30
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional characterization of an archaeal clustered regularly interspaced short palindromic repeat (CRISPR)-associated complex for antiviral defense (CASCADE).
J.Biol.Chem., 286, 2011
8B72
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BU of 8b72 by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828
分子名称: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, DIMETHYL SULFOXIDE, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE
著者Robinson, D.A, Moynie, L, Naismith, J.H, Gray, D.W.
登録日2022-09-28
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828
To Be Published
2XVO
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BU of 2xvo by Molmil
SSO1725, a protein involved in the CRISPR/Cas pathway
分子名称: BETA-MERCAPTOETHANOL, SSO1725, SULFATE ION
著者Reeks, J, Liu, H, Naismith, J, White, M, McMahon, S.
登録日2010-10-26
公開日2010-12-29
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure and Mechanism of the Cmr Complex for Crispr-Mediated Antiviral Immunity.
Mol.Cell, 45, 2012
4AG3
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BU of 4ag3 by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with NADPH at 1.8A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL
著者Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
登録日2012-01-24
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4AI4
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BU of 4ai4 by Molmil
crystal structure of E38Q mutant of 3-methyladenine DNA glycosylase I from Staphylococcus aureus
分子名称: DNA-3-METHYLADENINE GLYCOSYLASE I, SULFATE ION, ZINC ION
著者Zhu, X, Naismith, J.H.
登録日2012-02-08
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Acta Crystallogr.,Sect.F, 68, 2012
4AFN
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BU of 4afn by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa at 2.3A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, PENTAETHYLENE GLYCOL
著者Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
登録日2012-01-20
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
6INH
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BU of 6inh by Molmil
A glycosyltransferase with UDP and the substrate
分子名称: 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ...
著者Zhu, X.
登録日2018-10-25
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
3D4K
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BU of 3d4k by Molmil
Concanavalin A Complexed to a Synthetic Analog of the Trimannoside
分子名称: CALCIUM ION, Concanavalin-A, GLYCEROL, ...
著者Kadirvelraj, R, Foley, B.L, Dyekjaer, J.D, Woods, R.J.
登録日2008-05-14
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Involvement of water in carbohydrate-protein binding: concanavalin A revisited.
J.Am.Chem.Soc., 130, 2008
1DGL
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BU of 1dgl by Molmil
LECTIN FROM DIOCLEA GRANDIFLORA COMPLEXED TO TRIMANNOSIDE
分子名称: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
著者Rozwarski, D.A, Swami, B.M, Brewer, C.F, Sacchettini, J.C.
登録日1998-02-10
公開日1999-06-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the lectin from Dioclea grandiflora complexed with core trimannoside of asparagine-linked carbohydrates.
J.Biol.Chem., 273, 1998
4EXB
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BU of 4exb by Molmil
Putative aldo-keto reductase from Pseudomona aeruginosa
分子名称: Putative uncharacterized protein
著者Schnell, R, Schneider, G, Sandalova, T.
登録日2012-04-30
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4ETR
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BU of 4etr by Molmil
X-ray structure of PA2169 from Pseudomonas aeruginosa
分子名称: Putative uncharacterized protein
著者Schnell, R, Sandalova, T, Lindqvist, Y, Schneider, G.
登録日2012-04-24
公開日2013-01-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4ES6
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BU of 4es6 by Molmil
Crystal structure of HemD (PA5259) from Pseudomonas aeruginosa (PAO1) at 2.22 A resolution
分子名称: CHLORIDE ION, Uroporphyrinogen-III synthase
著者Schnell, R, Schneider, G.
登録日2012-04-22
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4EXA
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BU of 4exa by Molmil
Crystal structure of the PA4992, the putative aldo-keto reductase from Pseudomona aeruginosa
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative uncharacterized protein
著者Sandalova, T, Schnell, R, Schneider, G.
登録日2012-04-30
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
1AOG
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BU of 1aog by Molmil
TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE (OXIDIZED FORM)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MALEIC ACID, TRYPANOTHIONE REDUCTASE
著者Bond, C.S, Zhang, Y, Hunter, W.N.
登録日1997-07-03
公開日1997-09-17
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of trypanothione reductase from the human pathogen Trypanosoma cruzi at 2.3 A resolution.
Protein Sci., 5, 1996
1B57
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BU of 1b57 by Molmil
CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE
分子名称: CHLORIDE ION, PHOSPHOGLYCOLOHYDROXAMIC ACID, PROTEIN (FRUCTOSE-BISPHOSPHATE ALDOLASE II), ...
著者Hall, D.R, Hunter, W.N.
登録日1999-01-12
公開日2000-01-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of Escherichia coli class II fructose-1, 6-bisphosphate aldolase in complex with phosphoglycolohydroxamate reveals details of mechanism and specificity.
J.Mol.Biol., 287, 1999
1ONA
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BU of 1ona by Molmil
CO-CRYSTALS OF CONCANAVALIN A WITH METHYL-3,6-DI-O-(ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE
分子名称: CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION, ...
著者Bouckaert, J, Maes, D, Poortmans, F, Wyns, L, Loris, R.
登録日1996-07-07
公開日1997-09-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A structure of the complex between concanavalin A and methyl-3,6-di-O-(alpha-D-mannopyranosyl)-alpha-D-mannopyranoside reveals two binding modes.
J.Biol.Chem., 271, 1996
1MXS
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BU of 1mxs by Molmil
Crystal structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
分子名称: KDPG Aldolase, SULFATE ION
著者Watanabe, L, Bell, B.J, Lebioda, L, Rios-Steiner, J.L, Tulinsky, A, Arni, R.K.
登録日2002-10-03
公開日2003-09-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 59, 2003
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
分子名称: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
著者Muckelbauer, J.K, Chang, C.-H.
登録日2000-09-11
公開日2001-10-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001

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