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PDB: 40926 results

8V4Y
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BU of 8v4y by Molmil
Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ...
Authors:Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y.
Deposit date:2023-11-29
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
5LRW
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BU of 5lrw by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to ubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, Polyubiquitin-B
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
8V7L
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BU of 8v7l by Molmil
Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ...
Authors:Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y.
Deposit date:2023-12-04
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
6YWM
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BU of 6ywm by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
7OPT
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BU of 7opt by Molmil
Crystal structure of Trypanosoma cruzi peroxidase
Descriptor: Ascorbate peroxidase, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Freeman, S.L, Kwon, H, Skafar, V, Fielding, A.J, Martinez, A, Piacenza, L, Radi, R, Raven, E.L.
Deposit date:2021-06-01
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of Trypanosoma cruzi heme peroxidase and characterization of its substrate specificity and compound I intermediate.
J.Biol.Chem., 298, 2022
6ZG8
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BU of 6zg8 by Molmil
bovine ATP synthase rotor domain state 2
Descriptor: ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ...
Authors:Spikes, T, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-18
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
8UC8
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BU of 8uc8 by Molmil
HCN1 nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Authors:Kim, E.D, Nimigean, C.M.
Deposit date:2023-09-25
Release date:2024-07-31
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
8UC7
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BU of 8uc7 by Molmil
HCN1 complex with propofol
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Authors:Kim, E.D, Nimigean, C.M.
Deposit date:2023-09-25
Release date:2024-07-31
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
8QSQ
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BU of 8qsq by Molmil
Locally refined SARS-CoV-2 BA-2.86 Spike receptor binding domain (RBD) complexed with angiotensin converting enzyme 2 (ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S2'
Authors:Ren, J, Stuart, D.I, Duyvesteyn, H.M.E.
Deposit date:2023-10-11
Release date:2024-05-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
5MHQ
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BU of 5mhq by Molmil
CCT068127 in complex with CDK2
Descriptor: (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol, Cyclin-dependent kinase 2
Authors:Whittaker, S.R, Barlow, C, Martin, M.P, Mancusi, C, Wagner, S, Barrie, E, te Poele, R, Sharp, S, Brown, N, Wilson, S, Clarke, P, Walton, M.I, MacDonald, E, Blagg, J, Noble, M.E.M, Garrett, M.D, Workman, P.
Deposit date:2016-11-25
Release date:2017-12-20
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor.
Mol Oncol, 12, 2018
6SSS
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BU of 6sss by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2
Descriptor: 1-(8Z-hexadecenoyl)-sn-glycerol, GLYCEROL, Microsomal glutathione S-transferase 2, ...
Authors:Thulasingam, M, Nji, E, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
8QU9
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BU of 8qu9 by Molmil
Structure of the NCOA4 (Nuclear Receptor Coactivator 4)-FTH1 (H-Ferritin) complex
Descriptor: FE (III) ION, Ferritin heavy chain, NCOA4 (Nuclear Receptor Coactivator 4)
Authors:Hoelzgen, F, Klukin, E, Zalk, R, Shahar, A, Cohen-Schwartz, S, Frank, G.A.
Deposit date:2023-10-15
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural basis for the intracellular regulation of ferritin degradation.
Nat Commun, 15, 2024
1BOF
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BU of 1bof by Molmil
GI-ALPHA-1 BOUND TO GDP AND MAGNESIUM
Descriptor: GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Coleman, D.E, Sprang, S.R.
Deposit date:1998-08-04
Release date:1999-01-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the G protein Gi alpha 1 complexed with GDP and Mg2+: a crystallographic titration experiment.
Biochemistry, 37, 1998
4YFU
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BU of 4yfu by Molmil
Crystal structure of open Bacillus fragment DNA polymerase bound to DNA and dTTP
Descriptor: DNA polymerase, Primer DNA, SULFATE ION, ...
Authors:Wu, E.Y.
Deposit date:2015-02-25
Release date:2015-07-22
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Closing Mechanism of DNA Polymerase I at Atomic Resolution.
Structure, 23, 2015
8V3N
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BU of 8v3n by Molmil
CCP5 in complex with Glu-P-Glu transition state analog
Descriptor: (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid, Cytosolic carboxypeptidase-like protein 5, D-MALATE, ...
Authors:Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
Deposit date:2023-11-28
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024
8UVR
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BU of 8uvr by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.60A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S.
Deposit date:2023-11-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U02
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BU of 8u02 by Molmil
CryoEM structure of D2 dopamine receptor in complex with GoA KE mutant and dopamine
Descriptor: D(2) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Krumm, B.E, Kapolka, N.J, Fay, J.F, Roth, B.L.
Deposit date:2023-08-28
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
8TZQ
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BU of 8tzq by Molmil
CryoEM structure of D2 dopamine receptor in complex with GoA KE Mutant, scFv16, and dopamine
Descriptor: D(2) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Krumm, B.E, Kapolka, N.J, Fay, J.F, Roth, B.L.
Deposit date:2023-08-27
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
6QN0
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BU of 6qn0 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Authors:Dvinskis, E, Leitans, J, Tars, K.
Deposit date:2019-02-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
8UVS
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BU of 8uvs by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin derivative 2694, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.75A resolution
Descriptor: (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S.
Deposit date:2023-11-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus.
Proc.Natl.Acad.Sci.USA, 121, 2024
6TXA
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BU of 6txa by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
Authors:Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A.
Deposit date:2020-01-13
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.853 Å)
Cite:Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
5NC6
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BU of 5nc6 by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (E)-N-hydroxy-3-(naphthalen-1-yl)prop-2-enamide
Descriptor: 1,2-ETHANEDIOL, 3-naphthalen-1-yl-~{N}-oxidanyl-propanamide, ACETATE ION, ...
Authors:Giastas, P, Andreou, A, Balomenou, S, Bouriotis, V, Eliopoulos, E.E.
Deposit date:2017-03-03
Release date:2018-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
6MYR
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BU of 6myr by Molmil
Avian mitochondrial complex II with thiapronil bound
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Huang, L.-S, Luemmen, P, Berry, E.A.
Deposit date:2018-11-02
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6OIF
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BU of 6oif by Molmil
Cryo-EM structure of human TorsinA filament
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Torsin-1A
Authors:Zheng, W, Demircioglu, F.E, Schwartz, T.U, Egelman, E.H.
Deposit date:2019-04-09
Release date:2019-07-24
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The AAA + ATPase TorsinA polymerizes into hollow helical tubes with 8.5 subunits per turn.
Nat Commun, 10, 2019
6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Pokross, M.E.
Deposit date:2019-04-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020

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