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8AQJ
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BU of 8aqj by Molmil
Hydrophobic probe bound to Streptavidin - 2
Descriptor: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide, Streptavidin
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-08-12
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydrophobic probe bound to Streptavidin - 2
To Be Published
7B55
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BU of 7b55 by Molmil
Crystal structure of CaMKII-actinin complex bound to MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-actinin-2, Calcium/calmodulin-dependent protein kinase type II subunit alpha
Authors:Zhu, J, Gold, M.
Deposit date:2020-12-03
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of CaMKII-actinin complex bound to MES
To Be Published
7T5V
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BU of 7t5v by Molmil
Structure of E. coli CapH C-terminal domain I99M mutant
Descriptor: Helix-turn-helix domain-containing protein
Authors:Lau, R.K, Corbett, K.D.
Deposit date:2021-12-13
Release date:2022-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage.
Embo J., 41, 2022
7B56
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BU of 7b56 by Molmil
Crystal structure of CaMKII-actinin complex bound to AMPPNP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-actinin-2, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
Authors:Zhu, J, Gold, M.
Deposit date:2020-12-03
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of CaMKII-actinin complex bound to MES
To Be Published
6Z3B
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BU of 6z3b by Molmil
Low resolution structure of RgNanOx
Descriptor: CITRIC ACID, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Naismith, J.H, Lee, M.
Deposit date:2020-05-19
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria.
J.Biol.Chem., 295, 2020
6GHY
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BU of 6ghy by Molmil
Structure of Lytic Transglycosylase MltE inactive mutant E64Q from E.coli
Descriptor: DI(HYDROXYETHYL)ETHER, Endo-type membrane-bound lytic murein transglycosylase A
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-05-09
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
8UD0
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BU of 8ud0 by Molmil
Sterile Alpha Motif (SAM) domain from Tric1 from Arabidopsis thaliana - G241E mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Chloroplastic import inner membrane translocase subunit HP30-1
Authors:Olasz, B, Vrielink, A, Smithers, L.
Deposit date:2023-09-27
Release date:2024-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural analysis of the SAM domain of the Arabidopsis mitochondrial tRNA import receptor.
J.Biol.Chem., 300, 2024
7B57
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BU of 7b57 by Molmil
Crystal structure of CaMKII-actinin complex bound to ADP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Alpha-actinin-2, ...
Authors:Zhu, J, Gold, M.
Deposit date:2020-12-03
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of CaMKII-actinin complex bound to ADP
To Be Published
6OAW
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BU of 6oaw by Molmil
Crystal structure of a CRISPR Cas-related protein
Descriptor: UNKNOWN ATOM OR ION, WYL1
Authors:Zhang, H, Dong, C, Li, L, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2019-03-18
Release date:2019-04-10
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the modulatory role of the accessory protein WYL1 in the Type VI-D CRISPR-Cas system.
Nucleic Acids Res., 47, 2019
6C4W
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BU of 6c4w by Molmil
Structure of the yeast Pichia membranifaciens cytochrome c
Descriptor: HEME C, cytochrome c
Authors:McPherson, A.
Deposit date:2018-01-13
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization of two crystal forms of cytochrome c from Valida membranifaciens
to be published
7T5T
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BU of 7t5t by Molmil
Structure of Thauera sp. K11 CapP
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CapP toxin, SULFATE ION, ...
Authors:Lau, R.K, Corbett, K.D.
Deposit date:2021-12-13
Release date:2022-09-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage.
Embo J., 41, 2022
6ZDT
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BU of 6zdt by Molmil
Crystal structure of eukaryotic Fibrillarin with Nop56 N-terminal domain
Descriptor: Nucleolar protein 56, rRNA 2'-O-methyltransferase fibrillarin
Authors:Hoefler, S, Lukat, P, Carlomagno, T, Blankenfeldt, W.
Deposit date:2020-06-15
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:High-resolution structure of eukaryotic Fibrillarin interacting with Nop56 amino-terminal domain.
Rna, 27, 2021
6KEL
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BU of 6kel by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutathione S-transferase E14
Authors:Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Senda, T, Niwa, R.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6GUK
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BU of 6guk by Molmil
CDK2 in complex with CGP74514A
Descriptor: Cyclin-dependent kinase 2, ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6ZED
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BU of 6zed by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1
Descriptor: 1,2-ETHANEDIOL, 4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine, Bromodomain-containing protein 4
Authors:Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2020-06-16
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1
To Be Published
8A8X
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BU of 8a8x by Molmil
TRIM7 PRYSPRY in complex with a MNV1-NS3 peptide HDDFGLQ
Descriptor: E3 ubiquitin-protein ligase TRIM7, MNV1-NS3 C term peptide
Authors:Luptak, J.
Deposit date:2022-06-24
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
8AGK
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BU of 8agk by Molmil
Botulinum neurotoxin subtype A6 cell binding domain in complex with GD1a ganglioside
Descriptor: 1,2-ETHANEDIOL, Bont/A1, DI(HYDROXYETHYL)ETHER, ...
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M, Newell, A.R, Mojanaga, O.O.
Deposit date:2022-07-20
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of the Clostridium botulinum Neurotoxin A6 Cell Binding Domain Alone and in Complex with GD1a Reveal Significant Conformational Flexibility.
Int J Mol Sci, 23, 2022
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6ZEJ
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BU of 6zej by Molmil
Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)]
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
6C1A
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BU of 6c1a by Molmil
MBD2 in complex with methylated DNA
Descriptor: Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION, complement to dna strand 1, ...
Authors:Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-01-04
Release date:2018-02-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
8AHH
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BU of 8ahh by Molmil
PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6OBR
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BU of 6obr by Molmil
PP1 Y134A in complex with Microcystin LR
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Microcystin LR, ...
Authors:Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
Deposit date:2019-03-21
Release date:2019-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
8AGF
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BU of 8agf by Molmil
Crystal structure of human Thiosulfate sulfurtransferase amino acids 2-297
Descriptor: Thiosulfate sulfurtransferase
Authors:Goor, H.v, Grove, M.R, AL-Dahmani, Z.m.
Deposit date:2022-07-19
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The crystal structure of human Thiosulfate sulfurtransferase
To Be Published

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PDB entries from 2024-10-02

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