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5NPW
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Structure of human ATG5-ATG16L1(ATG5BD) complex (C2)
分子名称: Autophagy protein 5, Autophagy-related protein 16-1
著者Archna, A, Scrima, A.
登録日2017-04-19
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification, biochemical characterization and crystallization of the central region of human ATG16L1.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4IMV
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BU of 4imv by Molmil
Ricin A-chain variant 1-33/44-198 with engineered disulfide bond, R48C/T77C/D75N
分子名称: Ricin, SULFATE ION
著者Legler, P.M, Compton, J.R, Millard, C.B.
登録日2013-01-03
公開日2013-02-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Disruption of the Putative Vascular Leak Peptide Sequence in the Stabilized Ricin Vaccine Candidate RTA1-33/44-198.
Toxins (Basel), 5, 2013
4OLV
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BU of 4olv by Molmil
Crystal structure of antibody VRC07-G54F in complex with clade A/E 93TH057 HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2014-01-25
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4ONG
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BU of 4ong by Molmil
Fab fragment of 3D6 in complex with amyloid beta 1-40
分子名称: 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein, ...
著者Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S.
登録日2014-01-28
公開日2014-06-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab.
Alzheimers Res Ther, 6, 2014
4JXW
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BU of 4jxw by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[3-(4-CARBOXYPHENYL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 6)
分子名称: 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Hendershot, J.M.
登録日2013-03-28
公開日2014-05-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
3BPT
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BU of 3bpt by Molmil
Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin
分子名称: (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, 3-hydroxyisobutyryl-CoA hydrolase
著者Pilka, E.S, Phillips, C, King, O.N.F, Guo, K, von Delft, F, Pike, A.C.W, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-12-19
公開日2008-01-08
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin.
To be Published
4JN1
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An Antidote for Dabigatran
分子名称: GLYCEROL, anti-dabigatran Fab1, heavy chain, ...
著者Schiele, F, Nar, H.
登録日2013-03-14
公開日2013-03-27
最終更新日2013-07-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A specific antidote for dabigatran: functional and structural characterization.
Blood, 121, 2013
4JQH
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BU of 4jqh by Molmil
Crystal structure of a new sGC activator (analogue of BAY 58-2667) bound to nostoc H-NOX domain
分子名称: 4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid, Alr2278 protein, MALONIC ACID
著者Kumar, V, van den Akker, F.
登録日2013-03-20
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into soluble guanylyl cyclase activation derived from improved heme-mimetics.
J.Med.Chem., 56, 2013
4KIS
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BU of 4kis by Molmil
Crystal Structure of a LSR-DNA Complex
分子名称: CALCIUM ION, DNA (26-MER), Putative integrase [Bacteriophage A118], ...
著者Rutherford, K, Yuan, P, Perry, K, Van Duyne, G.D.
登録日2013-05-02
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Attachment site recognition and regulation of directionality by the serine integrases.
Nucleic Acids Res., 41, 2013
4OX6
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BU of 4ox6 by Molmil
Structure of Synechococcus elongatus PCC 7942 CcmK4
分子名称: Carbon dioxide concentrating mechanism protein CcmK
著者Sutter, M, Kinney, J.N, Cai, F, Kerfeld, C.A.
登録日2014-02-04
公開日2014-08-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3367 Å)
主引用文献Engineering bacterial microcompartment shells: chimeric shell proteins and chimeric carboxysome shells.
Acs Synth Biol, 4, 2015
4OLY
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BU of 4oly by Molmil
Crystal structure of antibody VRC07-G54R in complex with clade A/E 93TH057 HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2014-01-25
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4MW2
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BU of 4mw2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472)
分子名称: 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MNN
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BU of 4mnn by Molmil
The crystal structure of Sso1120 from Sulfolobus solfataricus
分子名称: GLYCEROL, Glutaredoxin related protein
著者D'Ambrosio, K, De Simone, G.
登録日2013-09-11
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sulfolobus solfataricus thiol redox puzzle: characterization of an atypical protein disulfide oxidoreductase.
Extremophiles, 18, 2014
4BEA
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BU of 4bea by Molmil
Crystal Structure of eIF4E in Complex with a Stapled Peptide Derivative
分子名称: Eukaryotic translation initiation factor 4E, STAPLED EIF4E INTERACTING PEPTIDE
著者Quah, S.T, Lama, D, Verma, C.S, Lane, D.P, Brown, C.J.
登録日2013-03-07
公開日2013-12-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Rational Optimization of Conformational Effects Induced by Hydrocarbon Staples in Peptides and Their Binding Interfaces.
Sci.Rep., 3, 2013
4MW7
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Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469)
分子名称: 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MN4
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BU of 4mn4 by Molmil
Structural Basis for the MukB-topoisomerase IV Interaction
分子名称: Chromosome partition protein MukB, DNA topoisomerase 4 subunit A
著者Vos, S.M, Stewart, N.K, Oakley, M.G, Berger, J.M.
登録日2013-09-09
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the MukB-topoisomerase IV interaction and its functional implications in vivo.
Embo J., 32, 2013
4K0A
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BU of 4k0a by Molmil
Crystal structure of CD4-mimetic miniprotein M48U7 in complex with HIV-1 YU2 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-MIMETIC MINIPROTEIN M48U7, CITRATE ANION, ...
著者Acharya, P, Kwong, P.D.
登録日2013-04-03
公開日2013-06-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis for Highly Effective HIV-1 Neutralization by CD4-Mimetic Miniproteins Revealed by 1.5 A Cocrystal Structure of gp120 and M48U1.
Structure, 21, 2013
4MW0
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BU of 4mw0 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea (Chem 1392)
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
5XFQ
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BU of 5xfq by Molmil
Ternary complex of PHF1, a DNA duplex and a histone peptide
分子名称: DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), PHD finger protein 1, Peptide from Histone H3, ...
著者Wang, Z, Li, H.
登録日2017-04-11
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
4AZA
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BU of 4aza by Molmil
Improved eIF4E binding peptides by phage display guided design.
分子名称: EIF4G1_D5S PEPTIDE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
著者Chew, W.Z, Quah, S.T, Verma, C.S, Liu, Y, Lane, D.P, Brown, C.J.
登録日2012-06-25
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Improved Eif4E Binding Peptides by Phage Display Guided Design: Plasticity of Interacting Surfaces Yield Collective Effects.
Plos One, 7, 2012
4MW6
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BU of 4mw6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476)
分子名称: 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4H20
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BU of 4h20 by Molmil
Crystal Structure and Computational Modeling of the Fab Fragment from the Protective anti-Ricin Monoclonal Antibody RAC18
分子名称: Heavy chain of Fab Fragment from the anti-Ricin Monoclonal Antibody RAC18, Light chain of Fab Fragment from the anti-Ricin Monoclonal Antibody RAC18
著者Zhao, Z, Worthylake, D.K, LeCour Jr, L.F, Maresh, G, Pincus, S.H.
登録日2012-09-11
公開日2012-10-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and computational modeling of the fab fragment from a protective anti-ricin monoclonal antibody.
Plos One, 7, 2012
4MYW
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BU of 4myw by Molmil
Structure of HSV-2 gD bound to nectin-1
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, Envelope glycoprotein D, ...
著者Lu, G, Zhang, N, Qi, J, Li, Y, Chen, Z, Zheng, C, Yan, J, Gao, G.F.
登録日2013-09-28
公開日2014-10-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.189 Å)
主引用文献Crystal structure of herpes simplex virus 2 gD bound to nectin-1 reveals a conserved mode of receptor recognition.
J.Virol., 88, 2014
4HD5
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Crystal Structure of BC0361, a polysaccharide deacetylase from Bacillus cereus
分子名称: ACETATE ION, Polysaccharide deacetylase, ZINC ION
著者Fadouloglou, V.E, Kokkinidis, M, Glykos, N.M.
登録日2012-10-02
公開日2012-10-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination through homology modelling and torsion-angle simulated annealing: application to a polysaccharide deacetylase from Bacillus cereus.
Acta Crystallogr.,Sect.D, 69, 2013
4MW5
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Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea (Chem 1415)
分子名称: 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014

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