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8ON8
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Apo Malacoceros FaNaC1 in lipid nanodiscs
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, FMRFamide-gated sodium channel 1
著者Kalienkova, V, Dandamudi, M, Paulino, C, Lynagh, T.
登録日2023-04-01
公開日2024-02-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for excitatory neuropeptide signaling.
Nat.Struct.Mol.Biol., 31, 2024
8ON7
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FMRFa-bound Malacoceros FaNaC1 in lipid nanodiscs
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, FMRFamide, ...
著者Kalienkova, V, Dandamudi, M, Paulino, C, Lynagh, T.
登録日2023-04-01
公開日2024-02-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis for excitatory neuropeptide signaling.
Nat.Struct.Mol.Biol., 31, 2024
8OMZ
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Wide inward-open unliganded UraA in complex with a conformation-selective synthetic nanobody
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DECYL-BETA-D-MALTOPYRANOSIDE, PENTAETHYLENE GLYCOL, ...
著者Kuhn, B.T, Geertsma, E.R.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Interdomain-linkers control conformational transitions in an SLC23 elevator transporter
to be published
8OMW
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BU of 8omw by Molmil
Crystal structure of the titin domain Fn3-20
分子名称: CHLORIDE ION, Titin
著者Rees, M, Gautel, M.
登録日2023-03-31
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
8OMV
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Crystal structure of the constitutively active S117E/S181E mutant of human IKK2
分子名称: Inhibitor of nuclear factor kappa-B kinase subunit beta
著者McEwen, A.G, Li, C, Moro, S, Poussin-Courmontagne, P, Zanier, K.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (4.16 Å)
主引用文献A novel YDD(phi)X(phi) linear motif mediates docking of IKK catalytic dimers to NF-kappaB substrates: structural and functional insights
To be published
8OMU
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Cryo-EM structure of rat SLC22A6 bound to alpha-ketoglutaric acid in a low occupancy state
分子名称: Solute carrier family 22 member 6, Synthetic nanobody (Sybody)
著者Parker, J.L, Kato, T, Newstead, S.
登録日2023-03-31
公開日2023-07-19
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Molecular basis for selective uptake and elimination of organic anions in the kidney by OAT1.
Nat.Struct.Mol.Biol., 30, 2023
8OMQ
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DNA-unbound MutSbeta-ATP complex (straight clamp form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献DNA-unbound MutSbeta-ATP complex (straight clamp form)
To Be Published
8OMO
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DNA-unbound MutSbeta-ATP complex (bent clamp form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献DNA-unbound MutSbeta-ATP complex (bent clamp form)
To Be Published
8OMM
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BU of 8omm by Molmil
Coproporphyrin III - LmCpfC complex soaked 3min with Fe2+
分子名称: 1,2-ETHANEDIOL, Coproporphyrin III ferrochelatase, FE (II) ION, ...
著者Gabler, T, Hofbauer, S.
登録日2023-03-31
公開日2023-05-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Iron insertion into coproporphyrin III-ferrochelatase complex: Evidence for an intermediate distorted catalytic species.
Protein Sci., 32, 2023
8OMK
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hKHK-C in complex with ADP & fructose 1-phosphate
分子名称: 1-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, ...
著者Ebenhoch, R, Pautsch, A.
登録日2023-03-31
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability
To Be Published
8OMG
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BU of 8omg by Molmil
Crystal structure of mKHK (apo)
分子名称: Ketohexokinase
著者Ebenhoch, E, Pautsch, P.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMF
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BU of 8omf by Molmil
Crystal structure of hKHK-C in complex with compound-4
分子名称: Ketohexokinase, SULFATE ION, compound
著者Ebenhoch, R, Pautsch, A.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMD
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BU of 8omd by Molmil
Crystal structure of mKHK in complex with compound-4
分子名称: Ketohexokinase, compound
著者Ebenhoch, R, Pautsch, A.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMA
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BU of 8oma by Molmil
MutSbeta bound to 61bp homoduplex DNA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献MutSbeta bound to 61bp homoduplex DNA
To Be Published
8OM9
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BU of 8om9 by Molmil
MutSbeta bound to (CAG)2 DNA (open form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献MutSbeta bound to (CAG)2 DNA (open form)
To Be Published
8OM5
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BU of 8om5 by Molmil
DNA-free open form of MutSbeta
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献DNA-free open form of MutSbeta
To Be Published
8OM1
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BU of 8om1 by Molmil
Mitochondrial complex I from Mus musculus in the active state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Grba, D.N, Chung, I, Bridges, H.R, Agip, A.N.A, Hirst, J.
登録日2023-03-31
公開日2023-08-09
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Investigation of hydrated channels and proton pathways in a high-resolution cryo-EM structure of mammalian complex I.
Sci Adv, 9, 2023
8OLX
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BU of 8olx by Molmil
MutSbeta bound to (CAG)2 DNA (canonical form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-30
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献MutSbeta bound to (CAG)2 DNA (canonical form)
To Be Published
8OLU
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BU of 8olu by Molmil
Leishmania tarentolae proteasome 20S subunit in complex with 1-Benzyl-N-(3-(cyclopropylcarbamoyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
分子名称: Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
著者Rowland, P.
登録日2023-03-30
公開日2023-08-09
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors.
J.Med.Chem., 66, 2023
8OLT
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BU of 8olt by Molmil
Mitochondrial complex I from Mus musculus in the active state bound with piericidin A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Grba, D.N, Chung, I, Bridges, H.R, Agip, A.N.A, Hirst, J.
登録日2023-03-30
公開日2023-08-09
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Investigation of hydrated channels and proton pathways in a high-resolution cryo-EM structure of mammalian complex I.
Sci Adv, 9, 2023
8OLJ
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BU of 8olj by Molmil
Crystal structure of Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains, ...
著者Manakova, E.N, Zaremba, M, Grazulis, S.
登録日2023-03-30
公開日2024-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
8OL9
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BU of 8ol9 by Molmil
Anti-FIXa Fab in complex with human des-(Gla-EGF1) FIXa
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX heavy chain, ...
著者Johansson, E, Svensson, L.A.
登録日2023-03-30
公開日2023-07-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Computational design of N-linked glycans for high throughput epitope profiling.
Protein Sci., 32, 2023
8OL4
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Structure of the C-terminal domains of the Bdellovibrio bacteriovorus Bd2439 fibre in complex with GlcNAc
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell wall surface anchor family protein, ...
著者Caulton, S.G, Lovering, A.L.
登録日2023-03-30
公開日2023-10-25
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
8OKU
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BU of 8oku by Molmil
Salt-Inducible Kinase 3 in complex with an inhibitor
分子名称: Serine/threonine-protein kinase SIK3, ~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide
著者Flower, T.G, Leonard, P.M, Lamers, M.B.A.C, Mollat, P.
登録日2023-03-29
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312.
J.Med.Chem., 67, 2024
8OKN
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BU of 8okn by Molmil
Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023

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件を2024-07-10に公開中

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