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5TXE
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AtxE2 Isopeptidase - S527A Variant with Astexin3-dC4 Bound
Descriptor: Astexin3-dC4, AtxE2
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-11-16
Release date:2016-12-21
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates.
J. Am. Chem. Soc., 138, 2016
5TSA
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BU of 5tsa by Molmil
Crystal structure of the Zrt-/Irt-like protein from Bordetella bronchiseptica with bound Zn2+
Descriptor: CADMIUM ION, Membrane protein, ZINC ION
Authors:Zhang, T, Fellner, M, Sui, D, Liu, J, Hu, J.
Deposit date:2016-10-28
Release date:2017-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a ZIP zinc transporter reveal a binuclear metal center in the transport pathway.
Sci Adv, 3, 2017
5TXW
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BU of 5txw by Molmil
Structure of Pfp1 protease from Thermococcus thioreducens: large cell H3 crystal form
Descriptor: Peptidase
Authors:Larson, S.B, McPherson, A.
Deposit date:2016-11-17
Release date:2017-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The structure of the Pfp1 protease from the hyperthermophilic archaeon Thermococcus thioreducens in two crystal forms.
Acta Crystallogr D Struct Biol, 73, 2017
5TTD
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BU of 5ttd by Molmil
Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond
Descriptor: FORMIC ACID, Maltose-binding periplasmic protein,Pilin isopeptide linkage domain protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Young, P.G, Kwon, H, Squire, C.J, Baker, E.N.
Deposit date:2016-11-02
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering a Lys-Asn isopeptide bond into an immunoglobulin-like protein domain enhances its stability.
Sci Rep, 7, 2017
5TY2
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BU of 5ty2 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with nafcillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Penicillin-binding protein 4, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-18
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TYI
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BU of 5tyi by Molmil
Grb7 SH2 with bicyclic peptide containing pY mimetic
Descriptor: Growth factor receptor-bound protein 7, Peptide inhibitor
Authors:Watson, G.M, Wilce, M.C.J, Wilce, J.A.
Deposit date:2016-11-20
Release date:2017-11-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
5TZJ
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BU of 5tzj by Molmil
Crystal structure of S. aureus TarS 1-349 in complex with UDP-GlcNAc
Descriptor: Glycosyl transferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
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 (1.9 Å)
Cite:Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
5U12
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BU of 5u12 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
Descriptor: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, Dihydropteroate synthase
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 (1.839 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U1X
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BU of 5u1x by Molmil
Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist JNJ47965567
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide, ...
Authors:Karasawa, A, Kawate, T.
Deposit date:2016-11-29
Release date:2017-01-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structural basis for subtype-specific inhibition of the P2X7 receptor.
Elife, 5, 2016
5U6T
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BU of 5u6t by Molmil
The crystal structure of 4-ethoxybenzoate-bound CYP199A4
Descriptor: 4-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-12-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
Descriptor: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5UEM
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BU of 5uem by Molmil
Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 354NC37 Fab Heavy Chain, ...
Authors:Sievers, S.A, Gristick, H.B, Bjorkman, P.J.
Deposit date:2017-01-02
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller.
Sci Transl Med, 9, 2017
5TPQ
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BU of 5tpq by Molmil
E. coli alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant
Descriptor: Alkaline phosphatase, PHOSPHATE ION, ZINC ION
Authors:Sunden, F, AlSadhan, I, Lyubimov, A.Y, Doukov, T, Swan, J, Herschlag, D.
Deposit date:2016-10-20
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution.
J. Biol. Chem., 292, 2017
5TTW
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BU of 5ttw by Molmil
Crystal Structure of EED in Complex with UNC4859
Descriptor: Polycomb protein EED, SULFATE ION, UNC4859, ...
Authors:The, J, Barnash, K.D, Brown, P.J, Edwards, A.M, Bountra, C, Frye, S.V, James, L.I, Arrowsmith, C.H.
Deposit date:2016-11-04
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2.
ACS Comb Sci, 19, 2017
5TUQ
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BU of 5tuq by Molmil
Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase
Descriptor: 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-11-07
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
5TVD
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BU of 5tvd by Molmil
Crystal structure of Tm16
Descriptor: Tm16
Authors:Asojo, O.A.
Deposit date:2016-11-08
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Identification, Characterization, and Structure of Tm16 from Trichuris muris.
J Parasitol Res, 2017, 2017
5TWZ
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BU of 5twz by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TXY
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BU of 5txy by Molmil
Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase
Descriptor: (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, FORMIC ACID, ...
Authors:Ren, B, Peat, T.S, Poulsen, S.-A.
Deposit date:2016-11-17
Release date:2017-08-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.206 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5TYA
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BU of 5tya by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-18
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5TZB
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BU of 5tzb by Molmil
Burkholderia sp. beta-aminopeptidase
Descriptor: CALCIUM ION, D-aminopeptidase
Authors:McGowan, S, Drinkwater, N, John, M, Dumsday, G.
Deposit date:2016-11-21
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Crystal structure of a beta-aminopeptidase from an Australian Burkholderia sp.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5U0C
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BU of 5u0c by Molmil
Structure of Zika virus NS5 RNA polymerase domain
Descriptor: NS5 RNA polymerase domain, ZINC ION
Authors:Zhao, B, Du, F.
Deposit date:2016-11-23
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and function of the Zika virus full-length NS5 protein.
Nat Commun, 8, 2017

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