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5TOA
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Crystal Structure of ER beta bound to Estradiol
Descriptor: ESTRADIOL, Estrogen receptor beta
Authors:Textor, L, Nascimento, A.S, Polikarpov, I.
Deposit date:2016-10-17
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternative conformation of ER beta bound to estradiol reveals H12 in a stable antagonist position.
Sci Rep, 7, 2017
5TGI
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BU of 5tgi by Molmil
Structure of the SNX5 PX domain in complex with chlamydial protein IncE in space group P212121
Descriptor: IncE, Sorting nexin-5
Authors:Collins, B, Paul, B.
Deposit date:2016-09-28
Release date:2017-06-28
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the SNX5 PX domain in complex with chlamydial protein IncE
To Be Published
5TEZ
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BU of 5tez by Molmil
TCR F50 recgonizing M1-HLA-A2
Descriptor: Beta-2-microglobulin, GLY-ILE-LEU-GLY-PHE-VAL-PHE-THR-LEU, HLA class I histocompatibility antigen, ...
Authors:Yang, X, Mariuzza, R.A.
Deposit date:2016-09-23
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for clonal diversity of the human T-cell response to a dominant influenza virus epitope.
J. Biol. Chem., 292, 2017
5TH7
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BU of 5th7 by Molmil
Complex of SETD8 with MS453
Descriptor: 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ...
Authors:Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
5THA
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BU of 5tha by Molmil
Gemin5 WD40 repeats in complex with a guanosyl moiety
Descriptor: DIGUANOSINE-5'-TRIPHOSPHATE, Gem-associated protein 5, UNKNOWN ATOM OR ION
Authors:Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-10-19
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
5THT
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BU of 5tht by Molmil
Crystal Structure of G303A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
5TG0
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BU of 5tg0 by Molmil
Crystal structure of the dimethylsulfoniopropionate (DMSP) lyase DddK complexed with iron and zinc
Descriptor: FE (III) ION, ZINC ION, dimethylsulfoniopropionate lyase DddK
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-09-27
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter.
Biochemistry, 56, 2017
5TJ4
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BU of 5tj4 by Molmil
Gasdermin-B C-terminal domain containing the polymorphism residues Gly299:Pro306 fused to maltose binding protein
Descriptor: SODIUM ION, Sugar ABC transporter substrate-binding protein,Gasdermin-B fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Chao, L.K, Herzberg, O.
Deposit date:2016-10-03
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Gene polymorphism linked to increased asthma and IBD risk alters gasdermin-B structure, a sulfatide and phosphoinositide binding protein.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TKF
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BU of 5tkf by Molmil
Neurospora crassa polysaccharide monooxygenase 2 high mannosylation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallization of a fungal lytic polysaccharide monooxygenase expressed from glycoengineered Pichia pastoris for X-ray and neutron diffraction.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5TIJ
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BU of 5tij by Molmil
Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer)
Descriptor: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION
Authors:Leonard, P.G, Muller, F.L.
Deposit date:2016-10-03
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
5TKG
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BU of 5tkg by Molmil
Neurospora crassa polysaccharide monooxygenase 2 resting state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5T3X
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BU of 5t3x by Molmil
3.9 Angstrom Crystal Structure of a Fully and Natively Glycosylated BG505 SOSIP.664 HIV-1 Env Trimer in Complex with the Broadly Neutralizing Antibodies IOMA and 10-1074.
Descriptor: 10-1074 Heavy Chain, 10-1074 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gristick, H.B, Bjorkman, P.J.
Deposit date:2016-08-26
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Natively glycosylated HIV-1 Env structure reveals new mode for antibody recognition of the CD4-binding site.
Nat.Struct.Mol.Biol., 23, 2016
5TOQ
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BU of 5toq by Molmil
High resolution crystal structure of AAT
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
Deposit date:2016-10-18
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
5U5N
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BU of 5u5n by Molmil
The dimeric crystal structure of HTPA Reductase from Sellaginella moellendorffii
Descriptor: CALCIUM ION, HTPA Reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Keown, J.R, Goldstone, D.C, Pearce, F.G.
Deposit date:2016-12-06
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Plant DHDPR forms a dimer with unique secondary structure features that preclude higher-order assembly.
Biochem. J., 475, 2018
5U6W
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BU of 5u6w by Molmil
The crystal structure of 4-methylaminobenzoate-bound CYP199A4
Descriptor: 4-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-09
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5TWD
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BU of 5twd by Molmil
CTX-M-14 P167S apoenzyme
Descriptor: Beta-lactamase
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-11-12
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TW4
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BU of 5tw4 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftaroline
Descriptor: CHLORIDE ION, Ceftaroline, bound form, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-11
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TZ8
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BU of 5tz8 by Molmil
Crystal structure of S. aureus TarS
Descriptor: Glycosyl transferase
Authors:Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C.
Deposit date:2016-11-21
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
5TZQ
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BU of 5tzq by Molmil
Crystal Structure of FPV039:Bmf BH3 complex
Descriptor: 1,2-ETHANEDIOL, Bcl-2-like protein FPV039, Bcl-2-modifying factor
Authors:Anasir, M.I, Kvansakul, M.
Deposit date:2016-11-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of apoptosis inhibition by the fowlpox virus protein FPV039.
J. Biol. Chem., 292, 2017
5U0K
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BU of 5u0k by Molmil
C-terminal ankyrin repeats from human liver-type glutaminase (GAB/LGA)
Descriptor: Glutaminase liver isoform, mitochondrial
Authors:Ferreira, I.M, Pasquali, C.C, Gonzalez, A, Dias, S.M.G, Ambrosio, A.L.B.
Deposit date:2016-11-24
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats.
J. Biol. Chem., 292, 2017
5U0G
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BU of 5u0g by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5U0Y
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BU of 5u0y by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
Descriptor: 1,2-ETHANEDIOL, Dihydropteroate synthase, [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U18
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BU of 5u18 by Molmil
Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the Geneticin
Descriptor: GENETICIN, N-3'' methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bury, P, Huang, F, Leadlay, P, Dias, M.V.B.
Deposit date:2016-11-28
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
5U1E
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BU of 5u1e by Molmil
Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the kanamycin B
Descriptor: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Putative gentamicin methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bury, P, Huang, F, Leadlay, P, Dias, M.V.B.
Deposit date:2016-11-28
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
5TOJ
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BU of 5toj by Molmil
Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ...
Authors:Gilman, M.S.A, Kabeche, S.C, McLellan, J.S.
Deposit date:2016-10-17
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017

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