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PDB: 51630 results

5YBS
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BU of 5ybs by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with berkeleyone A
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
8VMG
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BU of 8vmg by Molmil
Crystal structure of GSK-3 26-383 bound to Axin 383-435
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
Deposit date:2024-01-13
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and functional effects of phosphopriming and scaffolding in the kinase GSK3beta
Sci.Signal., 2024
6Q61
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BU of 6q61 by Molmil
Pore-modulating toxins exploit inherent slow inactivation to block K+ channels
Descriptor: Kunitz-type conkunitzin-S1, SULFATE ION
Authors:Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E.
Deposit date:2018-12-10
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Pore-modulating toxins exploit inherent slow inactivation to block K+channels.
Proc.Natl.Acad.Sci.USA, 116, 2019
8T11
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BU of 8t11 by Molmil
Crystal structure of the PEG10 promoter-bound ONECUT2 R479A/R480A mutant DNA-binding domain
Descriptor: DNA (5'-D(P*AP*GP*AP*TP*CP*GP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*CP*GP*AP*TP*CP*T)-3'), One cut domain family member 2
Authors:Chatterjee, A, Katiki, M, Murali, R.
Deposit date:2023-06-01
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structure of the PEG10 promoter-bound ONECUT2 R479A/R480A mutant DNA-binding domain
To Be Published
8VME
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BU of 8vme by Molmil
Crystal structure of the GSK-3/Axin complex bound to a phosphorylated beta-catenin T41A peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Axin-1, Catenin beta-1, ...
Authors:Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
Deposit date:2024-01-13
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional effects of phosphopriming and scaffolding in the kinase GSK3beta
Sci.Signal., 2024
8RTY
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BU of 8rty by Molmil
Structure of the F-actin barbed end bound by Cdc12 and profilin (ring complex) at a resolution of 6.3 Angstrom
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P.
Deposit date:2024-01-29
Release date:2024-04-10
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (6.25 Å)
Cite:Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
8TXJ
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BU of 8txj by Molmil
KRAS 1-169 G12C Mutant at 277k
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
Authors:Deck, S.L, Xu, M, Milano, S.K, Aplin, C.
Deposit date:2023-08-23
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Temperature Gradient Structures of Oncogenic KRAS G12C Mutants
To Be Published
8SFT
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BU of 8sft by Molmil
Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with kaempferol
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, SULFATE ION, UDP-glycosyltransferase 202A2, ...
Authors:Arriaza, R.H, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
Deposit date:2023-04-11
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with kaempferol
To Be Published
6Q7S
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BU of 6q7s by Molmil
ERK2 mini-fragment binding
Descriptor: Mitogen-activated protein kinase 1, PHENOL, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-13
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
8SBQ
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BU of 8sbq by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, fluorophosphonate JB101 bound
Descriptor: Fluorophosphonate-binding serine hydrolases E, MAGNESIUM ION, ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate
Authors:Fellner, M.
Deposit date:2023-04-04
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, fluorophosphonate JB101 bound
To Be Published
6Q83
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BU of 6q83 by Molmil
Crystal structure of the biportin Pdr6 in complex with UBC9
Descriptor: Importin beta-like protein KAP122, UBC9
Authors:Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D.
Deposit date:2018-12-14
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.53 Å)
Cite:Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
8RU0
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BU of 8ru0 by Molmil
Structure of the undecorated barbed end of F-actin.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P.
Deposit date:2024-01-29
Release date:2024-04-10
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
8Q7K
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BU of 8q7k by Molmil
IRGQ LIR2 peptide in complex with LC3B
Descriptor: 1,2-ETHANEDIOL, Immunity-related GTPase family Q protein, Microtubule-associated proteins 1A/1B light chain 3B
Authors:Misra, M, Bailey, H.J, Pomirska, J, Dikic, I.
Deposit date:2023-08-16
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tumor immune evasion through IRGQ-directed autophagy
To Be Published
8S3E
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BU of 8s3e by Molmil
Structure of rabbit Slo1 in complex with gamma1/LRRC26
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ...
Authors:Redhardt, M, Raunser, S, Raisch, T.
Deposit date:2024-02-20
Release date:2024-04-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Cryo-EM structure of the Slo1 potassium channel with the auxiliary gamma 1 subunit suggests a mechanism for depolarization-independent activation.
Febs Lett., 598, 2024
8TRI
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BU of 8tri by Molmil
Crystal Structure of Mouse Cadherin-23 EC25-MAD28 F2894A
Descriptor: CALCIUM ION, Cadherin-23
Authors:Ashraf, Q, Sotomayor, M.
Deposit date:2023-08-09
Release date:2024-08-28
Method:X-RAY DIFFRACTION (3.716 Å)
Cite:Crystal Structure of Mouse Cadherin-23 EC25-MAD28 F2894A
To be published
8RVE
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BU of 8rve by Molmil
Vimentin intermediate filament
Descriptor: Vimentin
Authors:Eibauer, M, Medalia, O.
Deposit date:2024-02-01
Release date:2024-04-10
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Vimentin filaments integrate low-complexity domains in a complex helical structure.
Nat.Struct.Mol.Biol., 31, 2024
9EQM
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BU of 9eqm by Molmil
Crystal structure of pVHL:EloB:EloC in complex with MP-1-21
Descriptor: (2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[trans-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kroupova, A, Pierri, M, Liu, X, Ciulli, A.
Deposit date:2024-03-21
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Stereochemical inversion at a 1,4-cyclohexyl PROTAC linker fine-tunes conformation and binding affinity.
Bioorg.Med.Chem.Lett., 110, 2024
5YKV
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BU of 5ykv by Molmil
The crystal structure of Macrobrachium rosenbergii nodavirus P-domain
Descriptor: Capsid protein
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
9FEH
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BU of 9feh by Molmil
Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the STM957 inhibitor
Descriptor: Transcription factor ETV6,Guanine-N7 methyltransferase nsp14, ZINC ION, ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-pyridin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-cyano-~{N}-ethyl-4-methoxy-benzenesulfonamide
Authors:Zilecka, E, Klima, M, Boura, E.
Deposit date:2024-05-20
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the STM957 inhibitor
To be published
6QJP
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BU of 6qjp by Molmil
Cryo-EM structure of heparin-induced 2N4R tau jagged filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
8ZMG
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BU of 8zmg by Molmil
Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A
Descriptor: 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, Pimavanserin
Authors:Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K.
Deposit date:2024-05-23
Release date:2024-08-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 2024
8Q7G
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BU of 8q7g by Molmil
Human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol pH 7.0
Descriptor: 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, ACETATE ION, Carbonic anhydrase 1, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-08-16
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol pH 7.0
To Be Published
8Q87
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BU of 8q87 by Molmil
Structure of the G. gallus 80S rotated ribosome in complex with eEF2 and SERBP1
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Nurullina, L, Jenner, L, Yusupov, M.
Deposit date:2023-08-18
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural insights into inactive ribosome complexes derived from cold-treated chick embryo cells
To Be Published
6QBO
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BU of 6qbo by Molmil
structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A
Descriptor: Cell wall assembly regulator SMI1
Authors:Ramos, N, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D.
Deposit date:2018-12-21
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A
To Be Published
5YO9
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BU of 5yo9 by Molmil
Crystal structure of KAS III from Acinetobacter baumannii
Descriptor: 3-Oxoacyl-[acyl-carrier-(ACP)] synthase III C terminal family protein, COENZYME A, GLYCEROL
Authors:Lee, W.C, Jung, M, Lee, J, Kim, Y.
Deposit date:2017-10-27
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal structure of a novel KAS III from Acinetobacter baumannii
to be published

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PDB entries from 2024-08-28

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