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PDB: 163 results

7XBE
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BU of 7xbe by Molmil
co-crystal structure of CcpE-RD with citrate
Descriptor: CITRATE ANION, LysR family transcriptional regulator, SODIUM ION
Authors:Lan, L.F, Chen, F.F, Gan, J.H.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:co-crystal structure of CcpE-RD with citrate
To Be Published
1KRQ
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BU of 1krq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CAMPYLOBACTER JEJUNI FERRITIN
Descriptor: ferritin
Authors:Hortolan, L, Saintout, N, Granier, G, Langlois d'Estaintot, B, Manigand, C, Mizunoe, Y, Wai, S.N, Gallois, B, Precigoux, G.
Deposit date:2002-01-10
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:STRUCTURE OF CAMPYLOBACTER JEJUNI FERRITIN AT 2.7 A RESOLUTION
To be Published
8RXB
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BU of 8rxb by Molmil
Human UPF1 CH domain in complex with SMG6 peptide
Descriptor: Regulator of nonsense transcripts 1, Telomerase-binding protein EST1A, ZINC ION
Authors:Langer, L, Basquin, J, Conti, E.
Deposit date:2024-02-06
Release date:2024-05-15
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:UPF1 helicase orchestrates mutually exclusive interactions with the SMG6 endonuclease and UPF2.
Nucleic Acids Res., 52, 2024
3KBA
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BU of 3kba by Molmil
Progesterone receptor bound to sulfonamide pyrrolidine partial agonist
Descriptor: 2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile, Progesterone receptor, SULFATE ION
Authors:Kallander, L.S, Washburn, D.G, Williams, S.P, Madauss, K.P.
Deposit date:2009-10-20
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the developability profile of pyrrolidine progesterone receptor partial agonists.
Bioorg.Med.Chem.Lett., 20, 2010
8PP4
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BU of 8pp4 by Molmil
Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and reduced charge negatively supercharged ferritin variant Ftn(neg)-m3 (Mg formate condition)
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Lang, L, Beck, T.
Deposit date:2023-07-06
Release date:2023-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Assembly Requirements for the Construction of Large-Scale Binary Protein Structures.
Biomacromolecules, 25, 2024
8PP5
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BU of 8pp5 by Molmil
Unitary crystal structure of positively supercharged ferritin variant Ftn(pos)-m1 (Mg Formate condition)
Descriptor: FE (III) ION, Ferritin heavy chain, N-terminally processed, ...
Authors:Lang, L, Beck, T.
Deposit date:2023-07-06
Release date:2023-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Assembly Requirements for the Construction of Large-Scale Binary Protein Structures.
Biomacromolecules, 25, 2024
8PP2
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BU of 8pp2 by Molmil
Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and native(K86Q) human heavy chain ferritin (Mg formate condition)
Descriptor: FE (III) ION, Ferritin heavy chain, N-terminally processed, ...
Authors:Lang, L, Beck, T.
Deposit date:2023-07-06
Release date:2023-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Assembly Requirements for the Construction of Large-Scale Binary Protein Structures.
Biomacromolecules, 25, 2024
8PP3
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BU of 8pp3 by Molmil
Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and crystal contact tuned negatively supercharged ferritin variant Ftn(neg)-m1 (Mg formate condition)
Descriptor: FE (III) ION, Ferritin heavy chain, GLYCEROL, ...
Authors:Lang, L, Beck, T.
Deposit date:2023-07-06
Release date:2023-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Assembly Requirements for the Construction of Large-Scale Binary Protein Structures.
Biomacromolecules, 25, 2024
8EDG
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BU of 8edg by Molmil
Cryo-EM structure of the Hermes transposase bound to two left-ends of its DNA transposon
Descriptor: DNA (46-MER), DNA (5'-D(*GP*CP*GP*TP*GP*AP*A)-3'), DNA (55-MER), ...
Authors:Lannes, L, Dyda, F.
Deposit date:2022-09-04
Release date:2023-08-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Zinc-finger BED domains drive the formation of the active Hermes transpososome by asymmetric DNA binding.
Nat Commun, 14, 2023
8RPJ
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BU of 8rpj by Molmil
JanthE from Janthinobacterium sp. HH01
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
Deposit date:2024-01-16
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:JhE from Janthinobacterium sp. HH01
To Be Published
8RPI
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BU of 8rpi by Molmil
JanthE from Janthinobacterium sp. HH01, lactyl-ThDP
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
Deposit date:2024-01-16
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:JhE from Janthinobacterium sp. HH01
To Be Published
8RPH
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BU of 8rph by Molmil
JanthE from Janthinobacterium sp. HH01,ketobutyryl-ThDP
Descriptor: (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
Deposit date:2024-01-16
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:JhE from Janthinobacterium sp. HH01
To Be Published
1GX7
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BU of 1gx7 by Molmil
Best model of the electron transfer complex between cytochrome c3 and [Fe]-hydrogenase
Descriptor: 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ...
Authors:Elantak, L, Morelli, X, Bornet, O, Hatchikian, C, Czjzek, M, Dolla, A, Guerlesquin, F.
Deposit date:2002-03-28
Release date:2003-07-31
Last modified:2019-11-27
Method:SOLUTION NMR, THEORETICAL MODEL
Cite:The Cytochrome C(3)-[Fe]-Hydrogenase Electron-Transfer Complex: Structural Model by NMR Restrained Docking
FEBS Lett., 548, 2003
7SH7
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BU of 7sh7 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87
Descriptor: 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)
Authors:Blankenship, L.R, Yang, K.S, Liu, W.R.
Deposit date:2021-10-08
Release date:2023-04-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease.
Biorxiv, 2023
8S9Z
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BU of 8s9z by Molmil
Mpro inhibitors of SARS-CoV-2
Descriptor: 3C-like proteinase nsp5, Mpro inhibitor
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2023-03-30
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution.
To Be Published
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
2KRB
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BU of 2krb by Molmil
Solution structure of EIF3B-RRM bound to EIF3J peptide
Descriptor: Eukaryotic translation initiation factor 3 subunit B, Eukaryotic translation initiation factor 3 subunit J
Authors:Elantak, L, Wagner, S, Herrmannova, A, Janoskova, M, Rutkai, E, Lukavsky, P.J, Valasek, L.
Deposit date:2009-12-16
Release date:2010-01-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The indispensable N-terminal half of eIF3j/HCR1 co-operates with its structurally conserved binding partner eIF3b/PRT1-RRM and eIF1A in stringent AUG selection
To be Published
8SJD
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BU of 8sjd by Molmil
Cryo-EM structure of the Hermes transposase bound to two right-ends of its DNA transposon.
Descriptor: DNA (46-MER), DNA (55-MER), DNA (8-MER), ...
Authors:Lannes, L, Dyda, F.
Deposit date:2023-04-17
Release date:2023-08-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Zinc-finger BED domains drive the formation of the active Hermes transpososome by asymmetric DNA binding.
Nat Commun, 14, 2023
8EB5
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BU of 8eb5 by Molmil
Tandem of Hermes transposase BED domain in complex with the quasi palindrome of its transposon left-end
Descriptor: Hermes transposase BED domain, Hermes transposon left-end subterminal repeats 1 and 2, ZINC ION
Authors:Lannes, L, Dyda, F.
Deposit date:2022-08-30
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zinc-finger BED domains drive the formation of the active Hermes transpososome by asymmetric DNA binding.
Nat Commun, 14, 2023
7PW9
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BU of 7pw9 by Molmil
Human SMG1-9 kinase complex bound to AMPPNP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Langer, L.M, Conti, E.
Deposit date:2021-10-06
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
7PW8
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BU of 7pw8 by Molmil
Human SMG1-8-9 kinase complex bound to AMPPNP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Langer, L.M, Conti, E.
Deposit date:2021-10-06
Release date:2021-12-01
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
7PW4
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BU of 7pw4 by Molmil
Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor
Descriptor: 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Langer, L.M, Conti, E.
Deposit date:2021-10-06
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
7PW5
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BU of 7pw5 by Molmil
Human SMG1-8-9 kinase complex with AlphaFold predicted SMG8 C-terminus, bound to a SMG1 inhibitor
Descriptor: 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Langer, L.M, Conti, E.
Deposit date:2021-10-06
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
7PW7
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BU of 7pw7 by Molmil
Human SMG1-9 kinase complex bound to a SMG1 inhibitor
Descriptor: 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Langer, L.M, Conti, E.
Deposit date:2021-10-06
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021

222624

数据于2024-07-17公开中

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