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6QHB
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK578724A
Descriptor:Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide, GLYCEROL
Authors:Thorpe, J.H.
Deposit date:2019-01-16
Release date:2019-02-06
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QHA
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK3205388B
Descriptor:Kallikrein-6, GLYCEROL, UNKNOWN ATOM OR ION, ...
Authors:Thorpe, J.H.
Deposit date:2019-01-16
Release date:2019-02-06
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QH9
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK3239861A
Descriptor:Kallikrein-6, UNKNOWN ATOM OR ION, (3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, ...
Authors:Thorpe, J.H.
Deposit date:2019-01-16
Release date:2019-02-06
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QH4
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CRYSTAL STRUCTURE OF HUMAN METHYLMALONYL-COA EPIMERASE (MCEE) P.ARG143CYS VARIANT
Descriptor:Methylmalonyl-CoA epimerase, mitochondrial, COBALT (II) ION
Authors:Bailey, H.J., Chaikuid, A., Krysztofinska, E., Froese, D.S., Sorrell, F.J., Diaz-Saez, L., Kennedy, E., Edwards, A.M., Bountra, C., Yue, W.W.
Deposit date:2019-01-15
Release date:2019-02-27
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant
To Be Published
6QGL
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CRYSTAL STRUCTURE OF VP5 FROM HALOARCHAEAL PLEOMORPHIC VIRUS 6
Descriptor:VP5, BROMIDE ION
Authors:El Omari, K., Walter, T.S., Harlos, K., Grimes, J.M., Stuart, D.I., Roine, E.
Deposit date:2019-01-11
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
6QGI
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CRYSTAL STRUCTURE OF VP5 FROM HALOARCHAEAL PLEOMORPHIC VIRUS 2
Descriptor:VP5, N-ACETYL-D-GLUCOSAMINE, CHLORIDE ION
Authors:El Omari, K., Walter, T.S., Harlos, K., Grimes, J.M., Stuart, D.I., Roine, E.
Deposit date:2019-01-11
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
6QGF
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GALECTIN-3C IN COMPLEX WITH A PAIR OF ENANTIOMERIC LIGANDS: R ENANTIOMER
Descriptor:Galectin-3, (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
Authors:Manzoni, F., Verteramo, M.L., Oksanen, E., Nilsson, U.J., Logan, D.T.
Deposit date:2019-01-11
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
6QGE
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GALECTIN-3C IN COMPLEX WITH A PAIR OF ENANTIOMERIC LIGANDS: S ENANTIOMER
Descriptor:Galectin-3, (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
Authors:Manzoni, F., Verteramo, M.L., Oksanen, E., Nilsson, U.J., Logan, D.T.
Deposit date:2019-01-11
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
6QFY
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CRYSTAL STRUCTURE OF PORCINE HEMAGGLUTINATING ENCEPHALOMYELITIS VIRUS SPIKE PROTEIN LECTIN DOMAIN
Descriptor:Spike glycoprotein, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE
Authors:Huizinga, E.G., Bakkers, M., Lang, Y.
Deposit date:2019-01-10
Release date:2019-02-06
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Human coronaviruses OC43 and HKU1 bind to 9-O-acetylated sialic acids via a conserved receptor-binding site in spike protein domain A.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6QFJ
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MAMB CTD MAGNETOSOME PROTEIN [DESULFAMPLUS MAGNETOVALLIMORTIS BW-1]
Descriptor:Magnetosome membrane protein MamB, putative Co/Zn/Cd cation transporter. Cation diffusion facilitator family
Authors:Zeytuni, N.Z., Keren, N.K., Zarivach, R.Z.
Deposit date:2019-01-10
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Putative membrane tansporter, magnetosome protein MamM CTD [Desulfamplus magnetovallimortis BW-1]
To Be Published
6QEX
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NANODISC RECONSTITUTED HUMAN ABCB1 IN COMPLEX WITH UIC2 FAB AND TAXOL
Descriptor:Multidrug resistance protein 1, UIC2 Fab lightchain, UIC2 Fab heavy chain, ...
Authors:Alam, A., Locher, K.P.
Deposit date:2019-01-08
Release date:2019-02-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insight into substrate and inhibitor discrimination by human P-glycoprotein.
Science, 363, 2019
6QER
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APO FORM OF COMR FROM S. THERMOPHILUS IN SPACE GROUP C2
Descriptor:Transcriptional regulator
Authors:Thuillier, J., Nessler, S.
Deposit date:2019-01-08
Release date:2019-02-20
Method:X-RAY DIFFRACTION (2.465 Å)
Cite:Apo Form Of ComR From S. Thermophilus in space group C2
To Be Published
6QEM
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E. COLI DNABC COMPLEX BOUND TO SSDNA
Descriptor:Replicative DNA helicase, DNA replication protein DnaC, ssDNA, ...
Authors:Arias-Palomo, E., Puri, N., O'Shea Murray, V.L., Yan, Q., Berger, J.M.
Deposit date:2019-01-08
Release date:2019-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol. Cell, 2019
6QEL
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E. COLI DNABC APO COMPLEX
Descriptor:Replicative DNA helicase, DNA replication protein dnaC, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Arias-Palomo, E., Puri, N., O'Shea Murray, V.L., Yan, Q., Berger, J.M.
Deposit date:2019-01-08
Release date:2019-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol. Cell, 2019
6QEK
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PUTATIVE MEMBRANE TANSPORTER, MAGNETOSOME PROTEIN MAMM CTD [DESULFAMPLUS MAGNETOVALLIMORTIS BW-1]
Descriptor:Magnetosome protein
Authors:Keren, N.K., Zarivach, R.Z.
Deposit date:2019-01-08
Release date:2019-01-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Putative membrane tansporter, magnetosome protein MamM CTD [Desulfamplus magnetovallimortis BW-1]
To Be Published
6QEE
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NANODISC RECONSTITUTED HUMAN-MOUSE CHIMERIC ABCB1 (ABCB1HM)-EQ MUTANT IN COMPLEX WITH UIC2 FAB AND ZOSUQUIDAR.
Descriptor:ABCB1HM-EQ, UIC2 Antigen Binding Fragment Light chain, UIC2 Antigen Binding Fragment Heavy Chain, ...
Authors:Alam, A.
Deposit date:2019-01-07
Release date:2019-02-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insight into substrate and inhibitor discrimination by human P-glycoprotein.
Science, 363, 2019
6QEB
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ASSESSMENT OF A LARGE ENZYME-DRUG COMPLEX BY PROTON-DETECTED SOLID-STATE NMR WITHOUT DEUTERATION
Descriptor:Carbonic anhydrase 2, ZINC ION, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
Authors:Vasa, S.K.
Deposit date:2019-01-07
Release date:2019-02-06
Last modified:2019-03-13
Method:SOLID-STATE NMR
Cite:Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration.
Angew. Chem. Int. Ed. Engl., 2019
6QE9
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THE X-RAY STRUCTURE OF THE ADDUCT FORMED IN THE REACTION BETWEEN BOVINE PANCREATIC RIBONUCLEASE AND COMPLEX I, A PENTACOORDINATE PT(II) COMPOUND CONTAINING 2,9-DIMETHYL-1,10-PHENANTHROLINE, DIMETHYLFUMARATE, METHYL AND IODINE AS LIGANDS
Descriptor:Ribonuclease pancreatic, SULFATE ION, pentacoordinate Pt(II) compound
Authors:Merlino, A., Ferraro, G.
Deposit date:2019-01-07
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Reaction with Proteins of a Five-Coordinate Platinum(II) Compound.
Int J Mol Sci, 20, 2019
6QE4
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RE-REFINEMENT OF 5OLI HUMAN IBA57-I3C
Descriptor:Putative transferase CAF17, mitochondrial, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
Authors:Calderone, V., Ciofi-Baffoni, S., Gourdoupis, S., Banci, L., Nasta, V.
Deposit date:2019-01-04
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity
Acta Crystallogr.,Sect.D, 2019
6QE3
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RE-REFINEMENT OF 6ESR HUMAN IBA57 AT 1.75 A RESOLUTION
Descriptor:Putative transferase CAF17, mitochondrial
Authors:Calderone, V., Ciofi-Baffoni, S., Gourdoupis, S., Banci, L.
Deposit date:2019-01-04
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity
Acta Crystallogr.,Sect.D, 140, 2019
6QDV
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HUMAN POST-CATALYTIC P COMPLEX SPLICEOSOME
Descriptor:U2 snRNA, U5 snRNA, U6 snRNA, ...
Authors:Fica, S.M., Oubridge, C., Wilkinson, M.E., Newman, A.J., Nagai, K.
Deposit date:2019-01-03
Release date:2019-02-20
Last modified:2019-02-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A human postcatalytic spliceosome structure reveals essential roles of metazoan factors for exon ligation.
Science, 363, 2019
6QD5
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X-RAY STRUCTURE OF THE HUMAN UREA CHANNEL SLC14A1/UT1
Descriptor:Urea transporter 1, B-OCTYLGLUCOSIDE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Dietz, L., Chi, G., Pike, A.C.W., Moreau, C., Man, H., Snee, M., Scacioc, A., Shrestha, L., Mukhopadhyay, S.M.M., Mckinley, G., Ellis, K., Kliszcak, M., Chalk, R., Borkowska, O., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Durr, K.L., Structural Genomics Consortium (SGC)
Deposit date:2018-12-31
Release date:2019-01-09
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:X-ray Structure of the Human Urea Channel SLC14A1/UT1
To Be Published
6QCG
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PCNA COMPLEX WITH CDT1 N-TERMINAL PIP-BOX PEPTIDE
Descriptor:Proliferating cell nuclear antigen, DNA replication factor Cdt1
Authors:Perrakis, A., von Castelmur, E.
Deposit date:2018-12-28
Release date:2019-01-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Direct binding of Cdt2 to PCNA is important for targeting the CRL4Cdt2E3 ligase activity to Cdt1.
Life Sci Alliance, 1, 2018
6QC0
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PCNA COMPLEX WITH CDT2 C-TERMINAL PIP-BOX PEPTIDE
Descriptor:Proliferating cell nuclear antigen, Denticleless protein homolog
Authors:Perrakis, A.P., von Castelmur, E.
Deposit date:2018-12-25
Release date:2019-01-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Direct binding of Cdt2 to PCNA is important for targeting the CRL4Cdt2E3 ligase activity to Cdt1.
Life Sci Alliance, 1, 2018
6QBS
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THE ALKYNE MOIETY AS A LATENT ELECTROPHILE IN IRREVERSIBLE COVALENT SMALL MOLECULE INHIBITORS OF CATHEPSIN K
Descriptor:Cathepsin K, (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, ...
Authors:Mons, E., Jansen, I.D.C., Loboda, J., van Doodewaerd, B.R., Verdoes, M., van Boeckel, C.A.A., van Veelen, P.A., Turk, B., Turk, D., Hermans, J., Ovaa, H.
Deposit date:2018-12-21
Release date:2019-02-06
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019