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6FSU
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BU of 6fsu by Molmil
Crystal structure of E.coli BamA beta-barrel with a C-terminal extension
Descriptor: Outer membrane protein assembly factor BamA
Authors:Zahn, M, Hartmann, J.-B, Hiller, S.
Deposit date:2018-02-20
Release date:2018-11-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Sequence-Specific Solution NMR Assignments of the beta-Barrel Insertase BamA to Monitor Its Conformational Ensemble at the Atomic Level.
J. Am. Chem. Soc., 140, 2018
6G9O
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BU of 6g9o by Molmil
Structure of full-length homomeric mLRRC8A volume-regulated anion channel at 4.25 A resolution
Descriptor: Volume-regulated anion channel subunit LRRC8A
Authors:Sawicka, M, Deneka, D, Lam, A.K.M, Paulino, C, Dutzler, R.
Deposit date:2018-04-11
Release date:2018-05-16
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Structure of a volume-regulated anion channel of the LRRC8 family.
Nature, 558, 2018
5AYN
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BU of 5ayn by Molmil
Crystal structure of a bacterial homologue of iron transporter ferroportin in outward-facing state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, Solute carrier family 39 (Iron-regulated transporter)
Authors:Taniguchi, R, Kato, H.E, Font, J, Deshpande, C.N, Ishitani, R, Jormakka, M, Nureki, O.
Deposit date:2015-08-25
Release date:2015-11-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Outward- and inward-facing structures of a putative bacterial transition-metal transporter with homology to ferroportin
Nat Commun, 6, 2015
6GCT
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BU of 6gct by Molmil
cryo-EM structure of the human neutral amino acid transporter ASCT2
Descriptor: GLUTAMINE, Neutral amino acid transporter B(0)
Authors:Garaeva, A.A, Oostergetel, G.T, Gati, C, Guskov, A, Paulino, C, Slotboom, D.J.
Deposit date:2018-04-19
Release date:2018-06-13
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Cryo-EM structure of the human neutral amino acid transporter ASCT2.
Nat. Struct. Mol. Biol., 25, 2018
6FZ5
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BU of 6fz5 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Kersten, F.C, Brenk, R.
Deposit date:2018-03-14
Release date:2019-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
6FMS
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BU of 6fms by Molmil
IMISX-EP of Se-LspA
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase
Authors:Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
Deposit date:2018-02-02
Release date:2018-08-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
5B6Y
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BU of 5b6y by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 36.2 us after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-06-02
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
6GWF
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BU of 6gwf by Molmil
Alpha-galactosidase mutant D387A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 2,4-dinitro leaving group
Descriptor: (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol, Alpha-galactosidase, MAGNESIUM ION, ...
Authors:Gloster, T.M, Oehler, V.
Deposit date:2018-06-24
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
5BKD
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BU of 5bkd by Molmil
Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate
Descriptor: (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2019-06-02
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GXN
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BU of 6gxn by Molmil
Cryo-EM structure of an E. coli 70S ribosome in complex with RF3-GDPCP, RF1(GAQ) and Pint-tRNA (State III)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Graf, M, Huter, P, Maracci, C, Peterek, M, Rodnina, M.V, Wilson, D.N.
Deposit date:2018-06-27
Release date:2018-08-15
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Visualization of translation termination intermediates trapped by the Apidaecin 137 peptide during RF3-mediated recycling of RF1.
Nat Commun, 9, 2018
5BR2
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BU of 5br2 by Molmil
Structure of bacteriorhodopsin crystallized from ND-MSP1
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Nikolaev, M, Round, E, Gushchin, I, Gordeliy, V.
Deposit date:2015-05-29
Release date:2016-09-14
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Integral Membrane Proteins Can Be Crystallized Directly from Nanodiscs
Cryst.Growth Des., 17, 2017
5AVX
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BU of 5avx by Molmil
Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 20 min
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C.
Deposit date:2015-07-01
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography.
Nat Commun, 6, 2015
6H58
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BU of 6h58 by Molmil
Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1 - Full 100S Hibernating E. coli Ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
Authors:Beckert, B, Turk, M, Czech, A, Berninghausen, O, Beckmann, R, Ignatova, Z, Plitzko, J, Wilson, D.N.
Deposit date:2018-07-24
Release date:2018-09-05
Last modified:2018-10-24
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1.
Nat Microbiol, 3, 2018
6GJU
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BU of 6gju by Molmil
human NBD1 of CFTR in complex with nanobodies T2a and T4
Descriptor: Cystic fibrosis transmembrane conductance regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
Deposit date:2018-05-17
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
5D9T
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BU of 5d9t by Molmil
Crystal structure of dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Descriptor: Dehydroascorbate reductase, SODIUM ION
Authors:Do, H, Lee, J.H.
Deposit date:2015-08-19
Release date:2016-02-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Sci Rep, 6, 2016
5D9X
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BU of 5d9x by Molmil
Dehydroascorbate reductase complexed with GSH
Descriptor: CALCIUM ION, Dehydroascorbate reductase, GLUTATHIONE
Authors:Do, H, Lee, J.H.
Deposit date:2015-08-19
Release date:2016-02-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Sci Rep, 6, 2016
6FVS
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BU of 6fvs by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - sTeLIC in complex with Barium ions (Ba2+)
Descriptor: BARIUM ION, Cys-loop ligand-gated ion channel, ZINC ION, ...
Authors:Hu, H, Delarue, M.
Deposit date:2018-03-05
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5DAK
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BU of 5dak by Molmil
Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the absence of Glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARSENIC, Glutathione S-transferase P
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-20
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
5DG0
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BU of 5dg0 by Molmil
Human APE1 phosphorothioate substrate complex with Mn2+
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-08-27
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
6FZ3
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BU of 6fz3 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Kersten, F.C, Brenk, R.
Deposit date:2018-03-13
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
6G2M
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BU of 6g2m by Molmil
Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PAU
Descriptor: 1,2-ETHANEDIOL, 5'(3')-deoxyribonucleotidase, mitochondrial, ...
Authors:Pachl, P, Rezacova, P, Brynda, J.
Deposit date:2018-03-23
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Eur.J.Org.Chem., 2018
5DHG
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BU of 5dhg by Molmil
The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ...
Authors:Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2015-08-30
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor.
Structure, 23, 2015
6FS0
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BU of 6fs0 by Molmil
INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH AZD5991
Descriptor: AZD5991, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
5DFI
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BU of 5dfi by Molmil
Human APE1 phosphorothioate substrate complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-08-26
Release date:2015-10-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
6FTJ
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BU of 6ftj by Molmil
Cryo-EM Structure of the Mammalian Oligosaccharyltransferase Bound to Sec61 and the Non-programmed 80S Ribosome
Descriptor: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Braunger, K, Becker, T, Beckmann, R.
Deposit date:2018-02-22
Release date:2018-03-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for coupling protein transport and N-glycosylation at the mammalian endoplasmic reticulum.
Science, 360, 2018

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