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1PZK
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BU of 1pzk by Molmil
Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h
分子名称: Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
著者Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
登録日2003-07-11
公開日2004-03-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
4I7R
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BU of 4i7r by Molmil
T4 Lysozyme L99A/M102H with 2-(pyrazolo-1-yl) ethanol bound
分子名称: 2-(1H-pyrazol-1-yl)ethanol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4NDJ
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BU of 4ndj by Molmil
Crystal Structure of a computational designed engrailed homeodomain variant fused with YFP
分子名称: Green fluorescent protein, chimeric construct,GFP-like fluorescent chromoprotein FP506, related
著者Mou, Y, Mayo, S.L.
登録日2013-10-26
公開日2014-11-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
1QVY
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BU of 1qvy by Molmil
Crystal structure of RhoGDI K(199,200)R double mutant
分子名称: Rho GDP-dissociation inhibitor 1, SULFATE ION
著者Czepas, J, Devedjiev, Y, Krowarsh, D, Derewenda, U, Derewenda, Z.S.
登録日2003-08-29
公開日2004-02-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The impact of Lys-->Arg surface mutations on the crystallization of the globular domain of RhoGDI.
Acta Crystallogr.,Sect.D, 60, 2004
1QYG
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BU of 1qyg by Molmil
ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH BENZOYLECGONINE
分子名称: 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, FAB M82G2, HEAVY CHAIN, ...
著者Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D.
登録日2003-09-10
公開日2003-09-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2.
J.Mol.Biol., 349, 2005
4I7T
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BU of 4i7t by Molmil
T4 Lysozyme L99A/M102H with 2-bromo-5-hydroxybenzaldehyde bound
分子名称: 2-HYDROXYETHYL DISULFIDE, 2-bromo-5-hydroxybenzaldehyde, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4I7O
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BU of 4i7o by Molmil
T4 Lysozyme L99A/M102H with 2-amino-5-chlorothiazole bound
分子名称: 2-HYDROXYETHYL DISULFIDE, 5-chloro-1,3-thiazol-2-amine, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
7K6E
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BU of 7k6e by Molmil
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7K9A
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BU of 7k9a by Molmil
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide, ...
著者Sacco, M, Chen, Y.
登録日2020-09-29
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
6AMJ
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BU of 6amj by Molmil
CAT192 Fab Wild Type
分子名称: CAT192 Fab heavy chain, CAT192 Fab light chain, DI(HYDROXYETHYL)ETHER, ...
著者Lord, D.M, Wei, R.R.
登録日2017-08-09
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
6AFR
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BU of 6afr by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol
分子名称: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
著者Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
7K09
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BU of 7k09 by Molmil
Puromycin N-acetyltransferase in complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, Puromycin N-acetyltransferase
著者Caputo, A.T, Newman, J, Adams, T.E, Peat, T.S.
登録日2020-09-03
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Sci Rep, 11, 2021
7K0A
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BU of 7k0a by Molmil
Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA
分子名称: 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
著者Peat, T.S, Caputo, A.T, Newman, J, Adams, T.E.
登録日2020-09-03
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Sci Rep, 11, 2021
6AO0
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BU of 6ao0 by Molmil
CAT192 Fab Insertion Mutant H2/L2
分子名称: CAT192 Fab Heavy chain, CAT192 Fab Light chain, SULFATE ION
著者Lord, D.M, Wei, R.R.
登録日2017-08-15
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
6AVC
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BU of 6avc by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: Potassium channel toxin alpha-KTx 1.5
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-09-01
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
2MJT
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BU of 2mjt by Molmil
Anoplin R5F T8W in DPC micelles
分子名称: Anoplin, UNKNOWN ATOM OR ION, dodecyl 2-(trimethylammonio)ethyl phosphate
著者Uggerhoej, L, Poulsen, T.J, Wimmer, R.
登録日2014-01-16
公開日2014-12-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Rational Design of Alpha-Helical Antimicrobial Peptides: Do's and Don'ts.
Chembiochem, 16, 2015
6AV8
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BU of 6av8 by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: U5-theraphotoxin-Hs1b 1
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-09-01
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6B3M
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BU of 6b3m by Molmil
The crystal structure of a broadly-reactive human anti-hemagglutinin stalk antibody (70-1F02) in complex with H5 hemagglutinin
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, 70-1F02 Fab Heavy Chain, ...
著者Shore, D.A, Yang, H, Stevens, J.
登録日2017-09-22
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.92 Å)
主引用文献Broadly Reactive Human Monoclonal Antibodies Elicited following Pandemic H1N1 Influenza Virus Exposure Protect Mice against Highly Pathogenic H5N1 Challenge.
J. Virol., 92, 2018
7KMG
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BU of 7kmg by Molmil
LY-CoV555 neutralizing antibody against SARS-CoV-2
分子名称: GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
6ANP
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BU of 6anp by Molmil
CAT192 Fab Insertion Mutant H5/L0
分子名称: CAT192 Fab Heavy chain, CAT192 Fab Light chain
著者Lord, D.M, Wei, R.R.
登録日2017-08-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
6AU7
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BU of 6au7 by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-08-30
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
7KMH
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BU of 7kmh by Molmil
LY-CoV488 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
6AXL
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BU of 6axl by Molmil
Crystal structure of Fab317 complex
分子名称: Fab317 heavy chain, Fab317 light chains, Peptide ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-NH2
著者Oyen, D, Wilson, I.A.
登録日2017-09-07
公開日2017-11-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6AVA
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BU of 6ava by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: Insectotoxin-I1
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-09-01
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AXK
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BU of 6axk by Molmil
Crystal structure of Fab311 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN, Fab311 heavy chain, ...
著者Oyen, D, Wilson, I.A.
登録日2017-09-07
公開日2017-11-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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