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8GQ5
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BU of 8gq5 by Molmil
Human SARM1 bounded with NMN and Nanobody-C6, double-layer structure
分子名称: NAD(+) hydrolase SARM1, Nanobody C6
著者Cai, Y, Zhang, H.
登録日2022-08-29
公開日2023-01-18
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1.
Nat Commun, 13, 2022
8VTT
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BU of 8vtt by Molmil
Meis1 homeobox domain bound to neomycin fragment
分子名称: Homeobox protein Meis1, RIBOSTAMYCIN, SULFATE ION
著者Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N, Sadek, H.A.
登録日2024-01-27
公開日2024-02-14
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of FDA-approved drugs that induce heart regeneration in mammals.
Nat Cardiovasc Res, 3, 2024
8VTS
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BU of 8vts by Molmil
Meis1 homeobox domain bound to paromomycin fragment
分子名称: 1,2-ETHANEDIOL, Homeobox protein Meis1, ISOPROPYL ALCOHOL, ...
著者Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N.
登録日2024-01-27
公開日2024-02-14
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of FDA-approved drugs that induce heart regeneration in mammals.
Nat Cardiovasc Res, 3, 2024
7Q6C
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BU of 7q6c by Molmil
complement C6 FIM1-2 bound to CP010 antibody
分子名称: ACETATE ION, CP010 heavy chain, CP010 light chain, ...
著者Olesen, H.G, Andersen, G.R.
登録日2021-11-06
公開日2022-05-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.29274 Å)
主引用文献Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex.
J Innate Immun, 2022
8GCG
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BU of 8gcg by Molmil
MDM2 bound to inhibitor
分子名称: E3 ubiquitin-protein ligase Mdm2, macrocyclic peptide inhibitor
著者Silvestri, A.P, Muir, E.W, Chakka, S.K, Tripathi, S.M, Rubin, S.M, Pye, C.R, Schwochert, J.A.
登録日2023-03-01
公開日2024-10-23
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献DNA-Encoded Macrocyclic Peptide Libraries Enable the Discovery of a Neutral MDM2-p53 Inhibitor.
Acs Med.Chem.Lett., 14, 2023
3LQ3
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BU of 3lq3 by Molmil
Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide
分子名称: (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
登録日2010-02-08
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010
7SEO
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BU of 7seo by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO
分子名称: ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Fuller, J.L, Finzel, B.C.
登録日2021-09-30
公開日2022-01-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7VS2
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BU of 7vs2 by Molmil
secreted fungal effector protein MoErs1
分子名称: MoErs1
著者Wang, F.F, Xing, W.M.
登録日2021-10-25
公開日2023-08-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
7USQ
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BU of 7usq by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcDVPD-CHO
分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcDVPD-CHO
著者Fuller, J.L, Finzel, B.C.
登録日2022-04-25
公開日2022-06-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7USO
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BU of 7uso by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITVKD-CHO
分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITVKD-CHO
著者Fuller, J.L, Finzel, B.C.
登録日2022-04-25
公開日2022-06-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7USP
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BU of 7usp by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO
分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITV(Orn)D-CHO
著者Fuller, J.L, Finzel, B.C.
登録日2022-04-25
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
4E0J
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BU of 4e0j by Molmil
Protelomerase tela R255A mutant complexed with DNA hairpin product
分子名称: CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), ...
著者Shi, K, Aihara, H.
登録日2012-03-04
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
4E0Y
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BU of 4e0y by Molmil
Protelomerase tela covalently complexed with mutated substrate DNA
分子名称: DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), DNA (5'-D(*CP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), GLYCEROL, ...
著者Shi, K, Aihara, H.
登録日2012-03-05
公開日2013-02-13
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
登録日2020-05-26
公開日2020-07-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
4E0P
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BU of 4e0p by Molmil
Protelomerase tela covalently complexed with substrate DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), ...
著者Shi, K, Aihara, H.
登録日2012-03-05
公開日2013-02-13
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
4DWP
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BU of 4dwp by Molmil
SeMet protelomerase tela covalently complexed with substrate DNA
分子名称: DNA (5'-D(*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*GP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), Protelomerase, ...
著者Shi, K, Aihara, H.
登録日2012-02-26
公開日2013-02-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
4E10
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BU of 4e10 by Molmil
Protelomerase tela Y201A covalently complexed with substrate DNA
分子名称: DNA (5'-D(*CP*AP*TP*AP*AP*(BRU)P*AP*AP*CP*AP*AP*(BRU)P*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*AP*(BRU)P*(BRU)P*GP*(BRU)P*(BRU)P*AP*(BRU)P*(BRU)P*AP*(BRU)P*G)-3'), Protelomerase, ...
著者Shi, K, Aihara, H.
登録日2012-03-05
公開日2013-02-13
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
7BO9
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BU of 7bo9 by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe).
分子名称: CC-Type2-(VaYd)4-Y3F-W19(BrPhe), GLYCEROL
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2021-01-24
公開日2021-05-19
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
7BO8
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BU of 7bo8 by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F.
分子名称: 1,2-ETHANEDIOL, CC-Type2-(VaYd)4-Y3F-W19(BrPhe)-Y24F, OXAMIC ACID
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2021-01-24
公開日2021-05-19
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
7BOA
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BU of 7boa by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(YaFd)4-W19(BrPhe).
分子名称: CC-Type2-(YaFd)4-W19(BrPhe)
著者Rhys, G.G, Martin, F.J.O, Brady, R.L, Woolfson, D.N.
登録日2021-01-24
公開日2021-05-19
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
4F43
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BU of 4f43 by Molmil
Protelomerase TelA mutant R255A complexed with CAAG hairpin DNA
分子名称: DNA hairpin, Protelomerase
著者Shi, K, Aihara, H.
登録日2012-05-10
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Linear Chromosome-generating System of Agrobacterium tumefaciens C58: PROTELOMERASE GENERATES AND PROTECTS HAIRPIN ENDS.
J.Biol.Chem., 287, 2012
1NME
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BU of 1nme by Molmil
Structure of Casp-3 with tethered salicylate
分子名称: 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
登録日2003-01-09
公開日2003-03-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
7D3I
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BU of 7d3i by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase
著者Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J.
登録日2020-09-19
公開日2020-10-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7BDX
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BU of 7bdx by Molmil
Armadillo domain of HSF2BP in complex with BRCA2 peptide
分子名称: Breast cancer type 2 susceptibility protein, Heat shock factor 2-binding protein, MAGNESIUM ION
著者Le Du, M.H, Zinn-Justin, S, Ghouil, R, Miron, S, Legrand, P.
登録日2020-12-22
公開日2021-07-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献BRCA2 binding through a cryptic repeated motif to HSF2BP oligomers does not impact meiotic recombination.
Nat Commun, 12, 2021
1NMQ
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BU of 1nmq by Molmil
Extendend Tethering: In Situ Assembly of Inhibitors
分子名称: 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
登録日2003-01-10
公開日2003-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003

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