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3BAE
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BU of 3bae by Molmil
Crystal structure of Fab WO2 bound to the N terminal domain of Amyloid beta peptide (1-28)
分子名称: Amyloid Beta Peptide, WO2 IgG2a Fab fragment Heavy Chain, WO2 IgG2a Fab fragment Light Chain Kappa
著者Miles, L.A, Wun, K.S, Crespi, G.A, Parker, M.W.
登録日2007-11-07
公開日2008-04-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.593 Å)
主引用文献Amyloid-beta-anti-amyloid-beta complex structure reveals an extended conformation in the immunodominant B-cell epitope.
J.Mol.Biol., 377, 2008
4NM2
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BU of 4nm2 by Molmil
Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-G at N-1 position and G-C at N position
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.524 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
3BGO
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BU of 3bgo by Molmil
Azide complex of Engineered Subtilisin SUBT_BACAM
分子名称: AZIDE ION, Subtilisin BPN', ZINC ION
著者Gallagher, D.T, Bryan, P.N.
登録日2007-11-27
公開日2008-06-03
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a switchable subtilisin complexed with a substrate and with the activator azide.
Biochemistry, 48, 2009
3B2I
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BU of 3b2i by Molmil
Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-07-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
4NLK
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BU of 4nlk by Molmil
Structure of human DNA polymerase beta complexed with 8BrG in the template base-paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
3BMC
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BU of 3bmc by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and substrate (folate)
分子名称: FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase
著者Tulloch, L.B, Hunter, W.N.
登録日2007-12-13
公開日2008-12-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
4NBI
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BU of 4nbi by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 1.86 Angstrom resolution
分子名称: 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase, TRIETHYLENE GLYCOL
著者Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R.
登録日2013-10-23
公開日2013-12-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanism of chiral proofreading during translation of the genetic code.
Elife, 2, 2013
3N4C
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BU of 3n4c by Molmil
6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors
分子名称: (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, Cathepsin S, DIMETHYL SULFOXIDE, ...
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2010-05-21
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3BZR
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BU of 3bzr by Molmil
Crystal structure of EscU C-terminal domain with N262D mutation, Space group P 41 21 2
分子名称: EscU
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.646 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Parker, M.W.
登録日2010-05-30
公開日2011-05-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
3C2S
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BU of 3c2s by Molmil
Structural Characterization of a Human Fc Fragment Engineered for Lack of Effector Functions
分子名称: IGHM protein, ZINC ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Oganesyan, V, Wu, H, Dall'Acqua, W.F.
登録日2008-01-25
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural characterization of a human Fc fragment engineered for lack of effector functions.
Acta Crystallogr.,Sect.D, 64, 2008
3BPC
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BU of 3bpc by Molmil
co-crystal structure of S25-2 Fab in complex with 5-deoxy-4-epi-2,3-dehydro Kdo (4.8) Kdo
分子名称: 3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Fab, antibody fragment (IgG1k), ...
著者Brooks, C.L, Evans, S.V.
登録日2007-12-18
公開日2009-01-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
3C8N
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BU of 3c8n by Molmil
Crystal structure of apo-FGD1 from Mycobacterium tuberculosis
分子名称: Probable F420-dependent glucose-6-phosphate dehydrogenase FGD1
著者Bashiri, G, Squire, C.J, Moreland, N.J, Baker, E.N.
登録日2008-02-12
公開日2008-04-22
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding.
J.Biol.Chem., 283, 2008
3B2J
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BU of 3b2j by Molmil
Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3O0U
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BU of 3o0u by Molmil
Cathepsin K covalently bound to a cyano-pyrimidine inhibitor with improved selectivity over hERG
分子名称: 3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide, Cathepsin K
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-07-20
公開日2011-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3O6G
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BU of 3o6g by Molmil
Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator
分子名称: 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 2, ...
著者Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L.
登録日2010-07-29
公開日2010-09-15
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel series of positive modulators of the AMPA receptor: structure-based lead optimization.
Bioorg.Med.Chem.Lett., 20, 2010
4N1P
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BU of 4n1p by Molmil
Structure of Cyclophilin A in complex with Picolinamide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, pyridine-2-carboxamide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
3BP9
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BU of 3bp9 by Molmil
Structure of B-tropic MLV capsid N-terminal domain
分子名称: GLYCEROL, Gag protein, ISOPROPYL ALCOHOL
著者Gulnahar, M.B, Dodding, M.P, Goldstone, D.C, Haire, L.F, Stoye, J.P, Taylor, I.A.
登録日2007-12-18
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of B-MLV capsid amino-terminal domain reveals key features of viral tropism, gag assembly and core formation
J.Mol.Biol., 376, 2008
4KPM
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BU of 4kpm by Molmil
Crystal structure of the catalytic domain of RpfB from Mycobacterium tuberculosis in complex with triNAG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Resuscitation-promoting factor RpfB, ...
著者Squeglia, F, Ruggiero, A, Berisio, R.
登録日2013-05-14
公開日2013-06-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Carbohydrate Recognition by RpfB from Mycobacterium tuberculosis Unveiled by Crystallographic and Molecular Dynamics Analyses.
Biophys.J., 104, 2013
3BWM
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BU of 3bwm by Molmil
Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC
分子名称: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W.
登録日2008-01-09
公開日2008-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structures of human 108V and 108M catechol O-methyltransferase.
J.Mol.Biol., 380, 2008
3BZX
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BU of 3bzx by Molmil
Crystal structure of the mutated H265A EscU C-terminal domain
分子名称: EscU, SULFATE ION
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BS8
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BU of 3bs8 by Molmil
Crystal structure of Glutamate 1-Semialdehyde Aminotransferase complexed with pyridoxamine-5'-phosphate From Bacillus subtilis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase
著者Ge, H, Fan, J, Teng, M, Niu, L.
登録日2007-12-22
公開日2008-12-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Glutamate1-semialdehyde aminotransferase from Bacillus subtilis with bound pyridoxamine-5'-phosphate
Biochem.Biophys.Res.Commun., 402, 2010
3BZM
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BU of 3bzm by Molmil
Crystal Structure of Open form of Menaquinone-Specific Isochorismate Synthase, MenF
分子名称: CITRIC ACID, Menaquinone-specific isochorismate synthase
著者Parsons, J.F, Shi, K.M, Ladner, J.E.
登録日2008-01-18
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of isochorismate synthase in complex with magnesium.
Acta Crystallogr.,Sect.D, 64, 2008
4NEW
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BU of 4new by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE)
分子名称: 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ...
著者Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F.
登録日2013-10-30
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
3M2J
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BU of 3m2j by Molmil
Crystal Structure of fluorescein-labeled Class A -lactamase PenP
分子名称: 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Beta-lactamase, SULFATE ION
著者Zhao, Y.X, Leung, Y.C, Wong, W.T.
登録日2010-03-07
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of fluorescein-labeled Class A -lactamase PenP
To be Published

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