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7PZ5
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BU of 7pz5 by Molmil
Structure of an LPMO at 9.56x10^4 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACRYLIC ACID, ...
Authors:Tandrup, T, Muderspach, S.J, Ipsen, J.O, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PZ8
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BU of 7pz8 by Molmil
Structure of an LPMO at 3.12x10^6 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACRYLIC ACID, ...
Authors:Tandrup, T, Muderspach, S.J, Ipsen, J.O, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
6OXB
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BU of 6oxb by Molmil
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Descriptor: CHLORIDE ION, Protein polybromo-1, SULFATE ION
Authors:Petojevic, T, Holliday, M.J, Fairbrother, W.J, Cochran, A.G.
Deposit date:2019-05-13
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Polyvalent nucleosome recognition by Polybromo-1 anchors chromatin remodeling
To Be Published
6OYE
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BU of 6oye by Molmil
Crystal structure of Y99F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6O5J
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BU of 6o5j by Molmil
Crystal Structure of DAD2 bound to quinazolinone derivative
Descriptor: 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Hamiaux, C.
Deposit date:2019-03-03
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Chemical synthesis and characterization of a new quinazolinedione competitive antagonist for strigolactone receptors with an unexpected binding mode.
Biochem.J., 476, 2019
7PK3
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BU of 7pk3 by Molmil
Notum_ARUK3001185
Descriptor: 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
7PKV
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BU of 7pkv by Molmil
Notum_Inhibitor ARUK3000223
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Ruza, R, Zhao, Y, Fish, P, Jones, E.Y.
Deposit date:2021-08-26
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
6OKF
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BU of 6okf by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6ONM
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BU of 6onm by Molmil
Crystal Structure of (+)-Limonene Synthase Complexed with 8,9-Difluorolinalyl Diphosphate
Descriptor: (+)-limonene synthase, (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate, MANGANESE (II) ION
Authors:Prem Kumar, R, Morehouse, B.R, Yu, Q, Oprian, D.D.
Deposit date:2019-04-22
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Direct Evidence of an Enzyme-Generated LPP Intermediate in (+)-Limonene Synthase Using a Fluorinated GPP Substrate Analog.
Acs Chem.Biol., 14, 2019
6OTU
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BU of 6otu by Molmil
Crystal structure of a glucose-6-phosphate isomerase from Chlamydia trachomatis D/UW-3/Cx
Descriptor: ACETATE ION, GLUCOSE-6-PHOSPHATE, Glucose-6-phosphate isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-05-03
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a glucose-6-phosphate isomerase from Chlamydia trachomatis D/UW-3/Cx
To Be Published
6OQA
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BU of 6oqa by Molmil
Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product
Descriptor: (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
Authors:Lee, S.-J, Shigdel, U.K, Townson, S.A, Verdine, G.L.
Deposit date:2019-04-26
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OSP
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BU of 6osp by Molmil
Crystal Structure Analysis of PIP4K2A
Descriptor: 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-05-01
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors.
Cell Chem Biol, 27, 2020
6OTT
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BU of 6ott by Molmil
Structure of PurF in complex with ppApp
Descriptor: Amidophosphoribosyltransferase, PurF, MAGNESIUM ION, ...
Authors:Grant, R.A, Wang, B, Laub, M.T.
Deposit date:2019-05-03
Release date:2019-11-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:An interbacterial toxin inhibits target cell growth by synthesizing (p)ppApp.
Nature, 575, 2019
6OYG
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BU of 6oyg by Molmil
Crystal structure of H62F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6P3X
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BU of 6p3x by Molmil
Crystal Structure of Full Length APOBEC3G E/Q (pH 7.0)
Descriptor: Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G, ZINC ION
Authors:Yang, H.J, Li, S.X, Chen, X.S.
Deposit date:2019-05-25
Release date:2020-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Understanding the structural basis of HIV-1 restriction by the full length double-domain APOBEC3G.
Nat Commun, 11, 2020
6FK6
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BU of 6fk6 by Molmil
Crystal structure of N2C/D282C stabilized opsin bound to RS01
Descriptor: (2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ...
Authors:Mattle, D, Standfuss, J, Dawson, R.
Deposit date:2018-01-23
Release date:2018-04-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7AJI
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BU of 7aji by Molmil
bovine ATP synthase dimer state3:state2
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (11.4 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJG
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BU of 7ajg by Molmil
bovine ATP synthase dimer state2:state3
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (10.7 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AS9
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BU of 7as9 by Molmil
Bacillus subtilis ribosome-associated quality control complex state A. Ribosomal 50S subunit with peptidyl tRNA in the A/P position and RqcH.
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2020-10-27
Release date:2020-12-23
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Basis for Bacterial Ribosome-Associated Quality Control by RqcH and RqcP.
Mol.Cell, 81, 2021
7AOI
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BU of 7aoi by Molmil
Trypanosoma brucei mitochondrial ribosome large subunit assembly intermediate
Descriptor: 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L17, ...
Authors:Tobiasson, V, Gahura, O, Aibara, S, Baradaran, R, Zikova, A, Amunts, A.
Deposit date:2020-10-14
Release date:2020-12-02
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Interconnected assembly factors regulate the biogenesis of mitoribosomal large subunit.
Embo J., 40, 2021
7AJF
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BU of 7ajf by Molmil
bovine ATP synthase dimer state2:state2
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (8.45 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AS8
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BU of 7as8 by Molmil
Bacillus subtilis ribosome quality control complex state B. Ribosomal 50S subunit with P-tRNA, RqcH, and RqcP/YabO
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2020-10-27
Release date:2020-12-09
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural Basis for Bacterial Ribosome-Associated Quality Control by RqcH and RqcP.
Mol.Cell, 81, 2021
4PN8
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BU of 4pn8 by Molmil
A de novo designed pentameric coiled coil CC-Pent.
Descriptor: CC-Pent
Authors:Wood, C.W, Burton, A.J, Thomson, A.R, Brady, R.L, Woolfson, D.N.
Deposit date:2014-05-23
Release date:2014-10-22
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational design of water-soluble alpha-helical barrels.
Science, 346, 2014
7AOE
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BU of 7aoe by Molmil
Schizosaccharomyces pombe RNA polymerase I (elongation complex)
Descriptor: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit rpa1, DNA-directed RNA polymerase I subunit rpa14, ...
Authors:Heiss, F, Daiss, J, Becker, P, Engel, C.
Deposit date:2020-10-14
Release date:2021-02-24
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Conserved strategies of RNA polymerase I hibernation and activation.
Nat Commun, 12, 2021
5WM0
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BU of 5wm0 by Molmil
Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide (peptide not observed)
Descriptor: Peptidyl-glycine alpha-amidating monooxygenase
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-07-28
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018

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