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7Z6F
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Crystal structure of the substrate-binding protein YejA in complex with peptide fragment
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Beis, K, Qu, F.
登録日2022-03-11
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the substrate-binding protein YejA in complex with peptide fragment
To Be Published
7SKW
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BU of 7skw by Molmil
Ab initio structure of triclinic lysozyme from electron-counted MicroED data
分子名称: Lysozyme C, NITRATE ION
著者Martynowycz, M.W, Clabbers, M.T.B, Hattne, J, Gonen, T.
登録日2021-10-21
公開日2022-06-08
最終更新日2022-06-22
実験手法ELECTRON CRYSTALLOGRAPHY (0.87 Å)
主引用文献Ab initio phasing macromolecular structures using electron-counted MicroED data.
Nat.Methods, 19, 2022
4Q11
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Crystal structure of Proteus mirabilis transcriptional regulator protein Crl at 1.95A resolution
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Sigma factor-binding protein Crl
著者Norel, F, Mayer, C, Saul, F.A, Haouz, A.
登録日2014-04-02
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional features of Crl proteins and identification of conserved surface residues required for interaction with the RpoS/ sigma S subunit of RNA polymerase.
Biochem.J., 463, 2014
7SJQ
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Ex silico engineering of cystine-dense peptides yielding a potent bispecific T-cell engager
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cystine-dense peptide, GLYCEROL, ...
著者Rupert, P.B, Strong, R.
登録日2021-10-18
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
7Z68
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Pseudomonas aeruginosa Elastase in complex with a Thiol based inhibitor (R-and S-configured)
分子名称: (2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide, CALCIUM ION, GLYCEROL, ...
著者Klein, A, Hirsch, A.
登録日2022-03-11
公開日2023-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Dual inhibitors of Pseudomonas aeruginosa virulence factors LecA and LasB
To Be Published
7Z8Z
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BU of 7z8z by Molmil
Crystal structure of the MEILB2-BRME1 2:2 core complex
分子名称: Break repair meiotic recombinase recruitment factor 1, Heat shock factor 2-binding protein
著者Gurusaran, M, Davies, O.R.
登録日2022-03-19
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献MEILB2-BRME1 acts as a DNA clamp upon dimerisation induced by BRCA2-binding in meiotic recombination.
To Be Published
7SKX
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BU of 7skx by Molmil
Ab initio structure of proteinase K from electron-counted MicroED data
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, Proteinase K
著者Martynowycz, M.W, Clabbers, M.T.B, Hattne, J, Gonen, T.
登録日2021-10-21
公開日2022-06-08
最終更新日2022-06-22
実験手法ELECTRON CRYSTALLOGRAPHY (1.5 Å)
主引用文献Ab initio phasing macromolecular structures using electron-counted MicroED data.
Nat.Methods, 19, 2022
7SG5
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BU of 7sg5 by Molmil
Structure of PfCSP peptide 21 with antibody CIS43_Var2
分子名称: CIS43_Var2 Fab Heavy chain, CIS43_Var2 Fab Light chain, GLYCEROL, ...
著者Tripathi, P, Kwong, P.D.
登録日2021-10-05
公開日2022-06-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Highly protective antimalarial antibodies via precision library generation and yeast display screening.
J.Exp.Med., 219, 2022
7SG6
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Structure of PfCSP peptide 21 with antibody CIS43_Var10
分子名称: CIS43_Var10 Fab Heavy chain, CIS43_Var10 Fab Light chain, GLYCEROL, ...
著者Tripathi, P, Kwong, P.D.
登録日2021-10-05
公開日2022-06-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Highly protective antimalarial antibodies via precision library generation and yeast display screening.
J.Exp.Med., 219, 2022
7ZAO
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BU of 7zao by Molmil
Structure of BPP43_05035 of Brachyspira pilosicoli
分子名称: MAGNESIUM ION, Sialidase (Neuraminidase) family protein-like protein
著者Rajan, A, Gallego, P, Pelaseyed, T.
登録日2022-03-22
公開日2023-10-11
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献BPP43_05035 is a Brachyspira pilosicoli cell surface adhesin that weakens the integrity of the epithelial barrier during infection
Biorxiv, 2024
7RWW
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BU of 7rww by Molmil
Crystal structure of a Zn-bound RIDC1 variant
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Kakkis, A, Golub, E.
登録日2021-08-20
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Redox- and metal-directed structural diversification in designed metalloprotein assemblies.
Chem.Commun.(Camb.), 58, 2022
7S6H
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BU of 7s6h by Molmil
Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break.
分子名称: 1,2-ETHANEDIOL, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-14
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
7ZET
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BU of 7zet by Molmil
Crystal structure of human Clusterin, crystal form I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clusterin, ...
著者Yuste-Checa, P, Bracher, A, Hartl, F.U.
登録日2022-03-31
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human Clusterin, crystal form I
To be published
7RWU
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BU of 7rwu by Molmil
Crystal structure of Ni-bound RIDC1 variant in the presence of reductant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, HEME C, ...
著者Kakkis, A, Golub, E.
登録日2021-08-20
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Redox- and metal-directed structural diversification in designed metalloprotein assemblies.
Chem.Commun.(Camb.), 58, 2022
7S81
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BU of 7s81 by Molmil
Structure of human PARP1 domains (Zn1, Zn3, WGR, HD) bound to a DNA double strand break.
分子名称: DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*CP*GP*CP*AP*T)-3'), Poly [ADP-ribose] polymerase 1, ZINC ION
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-17
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
7ZEU
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BU of 7zeu by Molmil
Crystal structure of human Clusterin, crystal form II
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clusterin
著者Yuste-Checa, P, Bracher, A, Hartl, F.U.
登録日2022-03-31
公開日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of human Clusterin, crystal form II
To be published
7RWN
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BU of 7rwn by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RUQ
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BU of 7ruq by Molmil
Structure of the human GIGYF1-TNRC6C complex
分子名称: GRB10-interacting GYF protein 1, Trinucleotide repeat-containing gene 6C protein
著者Sobti, M, Mead, B.J, Igreja, C, Stewart, A.G, Christie, M.
登録日2021-08-18
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Molecular basis for GIGYF-TNRC6 complex assembly.
Rna, 29, 2023
7RV5
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BU of 7rv5 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9287
分子名称: 2-[2-(4-benzylpiperidin-1-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide, Isoform 2 of B-cell lymphoma 6 protein
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of the BCL6 BTB domain
To Be Published
7SKU
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BU of 7sku by Molmil
Nipah virus matrix protein in complex with PI(4,5)P2
分子名称: Matrix protein, SULFATE ION, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Norris, M.J, Saphire, E.O.
登録日2021-10-21
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Measles and Nipah virus assembly: Specific lipid binding drives matrix polymerization.
Sci Adv, 8, 2022
7SKS
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BU of 7sks by Molmil
Crystal structure of measles virus matrix protein
分子名称: Matrix protein
著者Norris, M.J, Saphire, E.O.
登録日2021-10-21
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Measles and Nipah virus assembly: Specific lipid binding drives matrix polymerization.
Sci Adv, 8, 2022
7SMD
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BU of 7smd by Molmil
p107 pocket domain complexed with EID1 peptide
分子名称: EP300-interacting inhibitor of differentiation 1, Retinoblastoma-like protein 1, SULFATE ION
著者Putta, S, Fernandez, S.M, Tripathi, S.M, Muller, G.A, Rubin, S.M.
登録日2021-10-25
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for tunable affinity and specificity of LxCxE-dependent protein interactions with the retinoblastoma protein family.
Structure, 30, 2022
7RWE
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BU of 7rwe by Molmil
Crystal structure of CDK2 liganded with compound GPHR787
分子名称: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-08-19
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7S6M
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BU of 7s6m by Molmil
Human PARP1 deltaV687-E688 bound to a DNA double strand break.
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-14
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
7YPR
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BU of 7ypr by Molmil
Structural basis of a superoxide dismutase from a tardigrade, Ramazzottius varieornatus strain YOKOZUNA-1.
分子名称: COPPER (II) ION, POTASSIUM ION, Superoxide dismutase [Cu-Zn], ...
著者Sim, K.-S, Fukuda, Y, Inoue, T.
登録日2022-08-04
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure of a superoxide dismutase from a tardigrade: Ramazzottius varieornatus strain YOKOZUNA-1.
Acta Crystallogr.,Sect.F, 79, 2023

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件を2024-07-17に公開中

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