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1Y6F
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BU of 1y6f by Molmil
alpha-glucosyltransferase in complex with UDP-glucose and DNA containing an abasic site
Descriptor: 5'-D(*CP*TP*AP*TP*CP*TP*GP*AP*GP*TP*AP*TP*C)-3', 5'-D(*GP*AP*TP*AP*CP*TP*(3DR)P*AP*GP*AP*TP*AP*G)-3', DI(HYDROXYETHYL)ETHER, ...
Authors:Lariviere, L, Sommer, N, Morera, S.
Deposit date:2004-12-06
Release date:2005-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural evidence of a passive base-flipping mechanism for AGT, an unusual GT-B glycosyltransferase.
J.Mol.Biol., 352, 2005
5ZMD
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BU of 5zmd by Molmil
Crystal structure of FTO in complex with m6dA modified ssDNA
Descriptor: Alpha-ketoglutarate-dependent dioxygenase FTO, DNA (5'-D(P*TP*CP*TP*(6MA)P*TP*AP*TP*CP*G)-3'), MANGANESE (II) ION, ...
Authors:Zhang, X, Wei, L.H, Luo, J, Xiao, Y, Liu, J, Zhang, W, Zhang, L, Jia, G.F.
Deposit date:2018-04-02
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural insights into FTO's catalytic mechanism for the demethylation of multiple RNA substrates.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1Y7E
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BU of 1y7e by Molmil
The Crystal Structure of Aminopeptidase I from Borrelia burgdorferi B31
Descriptor: Probable M18-family aminopeptidase 1
Authors:Min, T, Gorman, J, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-12-08
Release date:2005-01-04
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The crystal structure of aminopeptidase I (yscI) from Borrelia burgdorferi
To be Published
1Y82
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BU of 1y82 by Molmil
Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
Descriptor: UNKNOWN ATOM OR ION, hypothetical protein
Authors:Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-10
Release date:2005-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
To be published
5YY8
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BU of 5yy8 by Molmil
Crystal structure of the Kelch domain of human NS1-BP
Descriptor: Influenza virus NS1A-binding protein
Authors:Guo, L, Liu, Y, Liang, H.
Deposit date:2017-12-08
Release date:2018-03-14
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Crystal structure of the Kelch domain of human NS1-binding protein at 1.98 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5YYS
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BU of 5yys by Molmil
Cryo-EM structure of L-fucokinase, GDP-fucose pyrophosphorylase (FKP)in Bacteroides fragilis
Descriptor: L-fucokinase, L-fucose-1-P guanylyltransferase
Authors:Wang, J, Hu, H, Liu, Y, Zhou, Q, Wu, P, Yan, N, Wang, H.W, Wu, J.W, Sun, L.
Deposit date:2017-12-11
Release date:2018-12-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of L-fucokinase/GDP-fucose pyrophosphorylase (FKP) in Bacteroides fragilis.
Protein Cell, 10, 2019
1Y9E
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BU of 1y9e by Molmil
Crystal structure of Bacillus subtilis protein yhfP with NAD bound
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, hypothetical protein yhfP
Authors:Min, T, Gorman, J, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-12-15
Release date:2004-12-21
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of hypothetical protein yhfP from Bacillus subtilis
To be Published
5MVB
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BU of 5mvb by Molmil
Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.
Descriptor: DNA (26-MER), POTASSIUM ION, bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)
Authors:Wirmer-Bartoschek, J, Jonker, H.R.A, Bendel, L.E, Gruen, T, Bazzicalupi, C, Messori, L, Gratteri, P, Schwalbe, H.
Deposit date:2017-01-16
Release date:2017-05-31
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MTI
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BU of 5mti by Molmil
Bamb_5917 Acyl-Carrier Protein
Descriptor: Phosphopantetheine-binding protein
Authors:Gallo, A, Kosol, S, Griffiths, D, Masschelein, J, Alkhalaf, L, Smith, H, Valentic, T, Tsai, S, Challis, G, Lewandowski, J.R.
Deposit date:2017-01-09
Release date:2018-08-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis for chain release from the enacyloxin polyketide synthase
Nat.Chem., 2019
5YUF
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BU of 5yuf by Molmil
Crystal Structure of PML RING tetramer
Descriptor: Protein PML, ZINC ION
Authors:Wang, P, Benhend, S, Wu, H, Breitenbach, V, Zhen, T, Jollivet, F, Peres, L, Li, Y, Chen, S, Chen, Z, de THE, H, Meng, G.
Deposit date:2017-11-22
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RING tetramerization is required for nuclear body biogenesis and PML sumoylation.
Nat Commun, 9, 2018
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
Authors:Zhang, L, Ma, Q, Hilgenfeld, R.
Deposit date:2017-02-05
Release date:2018-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5YWP
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BU of 5ywp by Molmil
JEV-2H4 Fab complex
Descriptor: 2H4 heavy chain, 2H4 light chain, JEV E protein, ...
Authors:Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H.
Deposit date:2017-11-29
Release date:2018-05-02
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
5AJU
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BU of 5aju by Molmil
Crystal structure of ligand-free phosphoribohydroxylase lonely guy from Claviceps purpurea in complex with phosphoribose
Descriptor: 5-O-phosphono-beta-D-ribofuranose, PHOSPHORIBOHYDROLASE LONELY GUY, SULFATE ION
Authors:Dzurova, L, Savino, S, Forneris, F.
Deposit date:2015-02-27
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Three-Dimensional Structure of "Lonely Guy" from Claviceps Purpurea Provides Insights Into the Phosphoribohydrolase Function of Rossmann Fold-Containing Lysine Decarboxylase-Like Proteins.
Proteins, 83, 2015
5YXU
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BU of 5yxu by Molmil
an affinity enhanced T cell receptor in complex with HLA-A0201 restricted HCV NS3 peptide KLVALGINAV
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Yi, L.
Deposit date:2017-12-07
Release date:2018-12-12
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:an affinity enhanced T cell receptor in complex with HLA-A0201 restricted HCV NS3 peptide KLVALGINAV
To Be Published
1PKW
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BU of 1pkw by Molmil
Crystal structure of human glutathione transferase (GST) A1-1 in complex with glutathione
Descriptor: 2-HYDROXYETHYL DISULFIDE, GLUTATHIONE, Glutathione S-transferase A1
Authors:Grahn, E, Jakobsson, E, Gustafsson, A, Grehn, L, Olin, B, Wahlberg, M, Madsen, D, Kleywegt, G.J, Mannervik, B.
Deposit date:2003-06-06
Release date:2004-06-22
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix.
Acta Crystallogr.,Sect.D, 62, 2006
5ABJ
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BU of 5abj by Molmil
Structure of Coxsackievirus A16 in complex with GPP3
Descriptor: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ...
Authors:De Colibus, L, Wang, X, Tijsma, A, Neyts, J, Spyrou, J.A.B, Ren, J, Grimes, J.M, Puerstinger, G, Leyssen, P, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2015-08-06
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure Elucidation of Coxsackievirus A16 in Complex with Gpp3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses.
Plos Pathog., 11, 2015
5N04
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BU of 5n04 by Molmil
X-ray crystal structure of an LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L.
Deposit date:2017-02-02
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Unliganded and substrate bound structures of the cellooligosaccharide active lytic polysaccharide monooxygenase LsAA9A at low pH.
Carbohydr. Res., 448, 2017
5AC3
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BU of 5ac3 by Molmil
Crystal structure of PAM12A
Descriptor: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
Authors:Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
5AL1
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BU of 5al1 by Molmil
Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one
Descriptor: 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-06
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
1YFF
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BU of 1yff by Molmil
STRUCTURE OF HUMAN CARBONMONOXYHEMOGLOBIN C (BETA E6K): TWO QUATERNARY STATES (R2 and R3) IN ONE CRYSTAL
Descriptor: CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ...
Authors:Patskovska, L, Patskovsky, Y, Hirsch, R.E, Almo, S.C.
Deposit date:2004-12-31
Release date:2005-01-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of Quaternary Transitions in Human Liganded Hemoglobin
To be Published
1PNN
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BU of 1pnn by Molmil
PEPTIDE NUCLEIC ACID (PNA) COMPLEXED WITH DNA
Descriptor: DNA (5'-D(GP*AP*AP*GP*AP*AP*GP*AP*G)-3'), PNA (NH2-P(*C*T*C*T*T*C*T*T*C-HIS-GLY-SER-SER-GLY-HIS-C*T*T*C*T*T*C*T*C)-COOH)
Authors:Betts, L, Veal, J.M.
Deposit date:1995-10-13
Release date:1996-03-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Nucleic Acid Triple Helix Formed by a Peptide Nucleic Acid-DNA Complex
Science, 270, 1995
5MZS
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BU of 5mzs by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) mutant (R480A_Q482A) from Pseudomonas aeruginosa
Descriptor: Ferric enterobactin receptor
Authors:Moynie, L, Naismith, J.H.
Deposit date:2017-02-01
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
1Y2I
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BU of 1y2i by Molmil
Crystal Structure of MCSG Target APC27401 from Shigella flexneri
Descriptor: Hypothetical Protein S0862
Authors:Brunzelle, J.S, Minasov, G, Yang, X, Shuvalova, L, Collart, F.R, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-11-22
Release date:2005-01-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of MCSG Target APC27401 from Shigella flexneri
To be Published
5ZBB
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BU of 5zbb by Molmil
Crystal structure of Rtt109-Asf1-H3-H4 complex
Descriptor: DI(HYDROXYETHYL)ETHER, DNA damage response protein Rtt109, putative, ...
Authors:Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M.
Deposit date:2018-02-10
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109.
Cell, 174, 2018
5A7L
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BU of 5a7l by Molmil
TP901-1 CI NTD (res 1-80)
Descriptor: CI
Authors:Frandsen, K.E.H, Rasmussen, K.K, Lo Leggio, L.
Deposit date:2015-07-08
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Structural and Dynamics Studies of a Truncated Variant of Ci Repressor from Bacteriophage Tp901-1.
Sci.Rep., 6, 2016

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