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7R7X
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BU of 7r7x by Molmil
Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, ...
Authors:Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H.
Deposit date:2021-06-25
Release date:2022-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
7R80
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BU of 7r80 by Molmil
Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301
Descriptor: Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ...
Authors:Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H.
Deposit date:2021-06-25
Release date:2022-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide.
Nat Commun, 14, 2023
5UPQ
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BU of 5upq by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP465 ligand
Descriptor: 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5WKR
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BU of 5wkr by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancCC)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Engineered Chalcone Isomerase ancCC, ...
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL4
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BU of 5wl4 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3)
Descriptor: Engineered Chalcone Isomerase ancR3, FORMIC ACID
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
1YEL
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BU of 1yel by Molmil
Structure of the hypothetical Arabidopsis thaliana protein At1g16640.1
Descriptor: At1g16640
Authors:Peterson, F.C, Waltner, J.K, Lytle, B.L, Volkman, B.F, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-12-28
Release date:2005-01-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the B3 domain from Arabidopsis thaliana protein At1g16640
Protein Sci., 14, 2005
1YFI
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BU of 1yfi by Molmil
Crystal Structure of restriction endonuclease MspI in complex with its cognate DNA in P212121 space group
Descriptor: 5'-D(*CP*CP*CP*CP*CP*GP*GP*GP*GP*G)-3', Type II restriction enzyme MspI
Authors:Xu, Q.S, Kucera, R.B, Roberts, R.J, Guo, H.-C.
Deposit date:2005-01-02
Release date:2006-01-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Two crystal forms of the restriction enzyme MspI-DNA complex show the same novel structure.
Protein Sci., 14, 2005
4KVS
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BU of 4kvs by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant A134F)
Descriptor: Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID
Authors:Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
Deposit date:2013-05-23
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
4KVN
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BU of 4kvn by Molmil
Crystal structure of Fab 39.29 in complex with Influenza Hemagglutinin A/Perth/16/2009 (H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Fong, R, Swem, L.R, Lupardus, P.J.
Deposit date:2013-05-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Novel In vivo Human Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Anti-Influenza A Antibodies
Cell Host Microbe, 14, 2013
1YHD
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BU of 1yhd by Molmil
The solution structure of YGGX from Escherichia Coli
Descriptor: UPF0269 protein yggX
Authors:Osborne, M.J, Siddiqui, N, Landgraf, D, Pomposiello, P.J, Gehring, K.
Deposit date:2005-01-07
Release date:2005-01-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the oxidative stress-related protein YggX from Escherichia coli.
Protein Sci., 14, 2005
4KVQ
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BU of 4kvq by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase wild type with palmitic acid bound
Descriptor: Aldehyde decarbonylase, FE (III) ION, PALMITIC ACID
Authors:Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
Deposit date:2013-05-23
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
7R7P
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BU of 7r7p by Molmil
Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6)
Descriptor: 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T.
Deposit date:2021-06-25
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
7R7Q
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BU of 7r7q by Molmil
Immature HIV-1 CACTD-SP1 lattice with Inositol hexakisphosphate (IP6)
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T.
Deposit date:2021-06-25
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
7R3M
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BU of 7r3m by Molmil
Structure in solution of the TANGO1 cargo-binding domain (21-131)
Descriptor: Transport and Golgi organization protein 1 homolog
Authors:Arnolds, O, Stoll, R.
Deposit date:2022-02-07
Release date:2023-02-22
Last modified:2023-05-03
Method:SOLUTION NMR
Cite:Characterization of a fold in TANGO1 evolved from SH3 domains for the export of bulky cargos.
Nat Commun, 14, 2023
5VA9
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BU of 5va9 by Molmil
Human pancreatic alpha amylase in complex with peptide inhibitor piHA-L5(d10Y)
Descriptor: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2017-03-24
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
4JC1
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BU of 4jc1 by Molmil
Galectin-3 carbohydrate recognition domain in complex with thiodigalactoside
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Collins, P.M, Blanchard, H.
Deposit date:2013-02-21
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Investigation into the feasibility of thioditaloside as a novel scaffold for galectin-3-specific inhibitors.
Chembiochem, 14, 2013
7S4S
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BU of 7s4s by Molmil
Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex CoV11 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CoV11 heavy chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-09-09
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
5V8E
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BU of 5v8e by Molmil
Structure of Bacillus cereus PatB1
Descriptor: Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J.
Deposit date:2017-03-21
Release date:2017-10-18
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
7S6O
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BU of 7s6o by Molmil
The crystal structure of Lys48-linked di-ubiquitin
Descriptor: ACETATE ION, Ubiquitin
Authors:Osipiuk, J, Tesar, C, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A.
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
7S6P
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BU of 7s6p by Molmil
The crystal structure of human ISG15
Descriptor: Ubiquitin-like protein ISG15
Authors:Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
1VFC
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BU of 1vfc by Molmil
Solution Structure Of The DNA Complex Of Human Trf2
Descriptor: Short C-rich starnd, Short G-rich strand, Telomeric repeat binding factor 2
Authors:Nishimura, Y, Hanaoka, S.
Deposit date:2004-04-12
Release date:2005-05-17
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Comparison between TRF2 and TRF1 of their telomeric DNA-bound structures and DNA-binding activities
Protein Sci., 14, 2005
5WPS
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BU of 5wps by Molmil
Crystal structure HpiC1 Y101F
Descriptor: 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
7SG4
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BU of 7sg4 by Molmil
Structure of SARS-CoV S protein in complex with Receptor Binding Domain antibody DH1047
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Heavy chain, DH1047 light chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-10-04
Release date:2021-11-10
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A broadly cross-reactive antibody neutralizes and protects against sarbecovirus challenge in mice.
Sci Transl Med, 14, 2022
5V6C
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BU of 5v6c by Molmil
Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae
Descriptor: GLYCEROL, Hemolysin-related protein
Authors:De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R.
Deposit date:2017-03-16
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins.
PLoS Pathog., 14, 2018
5UPT
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BU of 5upt by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand
Descriptor: (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018

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