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8OKC
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SARS-CoV2 NSP5 in complex with a GC-376 based peptidomimetic PROTAC
分子名称: (phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase nsp5
著者Calderone, V.
登録日2023-03-28
公開日2024-01-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2.
Acs Med.Chem.Lett., 15, 2024
8OXN
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CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXYC CONDITIONS
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ...
著者Bui, S, Steiner, R.A.
登録日2023-05-02
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
8OQR
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80
分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-cyanobenzenesulfonic acid, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
8P0C
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Rubella virus p150 macro domain (apo)
分子名称: Non-structural polyprotein p200
著者Stoll, G.A, Modis, Y.
登録日2023-05-10
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure and biochemical activity of the macrodomain from rubella virus p150.
J.Virol., 98, 2024
1AKB
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BU of 1akb by Molmil
STRUCTURAL BASIS FOR THE CATALYTIC ACTIVITY OF ASPARTATE AMINOTRANSFERASE K258H LACKING ITS PYRIDOXAL-5'-PHOSPHATE-BINDING LYSINE RESIDUE
分子名称: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID, ASPARTATE AMINOTRANSFERASE
著者Malashkevich, V.N, Jansonius, J.N.
登録日1994-02-28
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the catalytic activity of aspartate aminotransferase K258H lacking the pyridoxal 5'-phosphate-binding lysine residue.
Biochemistry, 34, 1995
8P8T
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Ex vivo Ym2 crystal structure
分子名称: Chitinase-like protein 4, GLYCEROL
著者Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N.
登録日2023-06-02
公開日2024-01-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
8OOW
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Glutamine synthetase from Methermicoccus shengliensis at a resolution of 2.64 A
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Glutamine synthetase, ...
著者Mueller, M.-C, Lemaire, O.N, Wagner, T.
登録日2023-04-06
公開日2024-01-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Differences in regulation mechanisms of glutamine synthetases from methanogenic archaea unveiled by structural investigations.
Commun Biol, 7, 2024
8OOI
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Full composite cryo-EM map of p97/VCP in ADP.Pi state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Cheng, T.C, Sakata, E, Schuetz, A.K.
登録日2023-04-05
公開日2024-01-31
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Characterizing ATP processing by the AAA+ protein p97 at the atomic level.
Nat.Chem., 16, 2024
8OQN
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53
分子名称: 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
8OUE
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The H/ACA RNP lobe of human telomerase with the dyskerin thumb loop in a semi-closed conformation
分子名称: H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ...
著者Ghanim, G.E, Sekne, Z, van Roon, A.M.M, Balch, S, Nguyen, T.H.D.
登録日2023-04-22
公開日2024-01-31
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献2.7 angstrom cryo-EM structure of human telomerase H/ACA ribonucleoprotein.
Nat Commun, 15, 2024
1AN0
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CDC42HS-GDP COMPLEX
分子名称: CDC42HS-GDP, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Kongsaeree, P, Cerione, R, Clardy, J.
登録日1997-06-26
公開日1999-01-13
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Structure Determination of Cdc42Hs and Gdp Complex
To be Published
8OQP
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76
分子名称: 2-azanyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
著者Dalwani, S, Wierenga, R.K, Venkatesan, R.
登録日2023-04-12
公開日2024-01-24
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
8OUF
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The H/ACA RNP lobe of human telomerase with the dyskerin thumb loop in an open conformation
分子名称: H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ...
著者Ghanim, G.E, Sekne, Z, van Roon, A.M.M, Balch, S, Nguyen, T.H.D.
登録日2023-04-22
公開日2024-01-31
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献2.7 angstrom cryo-EM structure of human telomerase H/ACA ribonucleoprotein.
Nat Commun, 15, 2024
8P0E
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Rubella virus p150 macro domain in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein p200
著者Stoll, G.A, Modis, Y.
登録日2023-05-10
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure and biochemical activity of the macrodomain from rubella virus p150.
J.Virol., 98, 2024
8P1O
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Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives
分子名称: (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ...
著者Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A.
登録日2023-05-12
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
8P8Q
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BU of 8p8q by Molmil
Recombinant Ym1 crystal structure
分子名称: ACETATE ION, Chitinase-like protein 3, GLYCEROL
著者Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Aegerter, H, Smole, U, Savvides, S.N, Lambrecht, B.N.
登録日2023-06-02
公開日2024-01-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
8P8S
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BU of 8p8s by Molmil
Recombinant Ym2 crystal structure
分子名称: 1,2-ETHANEDIOL, Chitinase-like protein 4
著者Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, A, Savvides, S.N, Lambrecht, B.N.
登録日2023-06-02
公開日2024-01-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
8PD6
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Crystal structure of the TRIM58 PRY-SPRY domain in complex with TRIM-473
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase TRIM58, ...
著者Renatus, M, Hoegenauer, K, Schroeder, M.
登録日2023-06-11
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Ligands for TRIM58, a Novel Tissue-Selective E3 Ligase.
Acs Med.Chem.Lett., 14, 2023
8PD0
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cryo-EM structure of Doa10 in MSP1E3D1
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10
著者Botsch, J.J, Braeuning, B, Schulman, B.A.
登録日2023-06-11
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
8PD4
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Crystal structure of TRIM58 PRY-SPRY domain
分子名称: E3 ubiquitin-protein ligase TRIM58
著者Renatus, M, Schroeder, M.
登録日2023-06-11
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.714 Å)
主引用文献Discovery of Ligands for TRIM58, a Novel Tissue-Selective E3 Ligase.
Acs Med.Chem.Lett., 14, 2023
8OOZ
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Glutamine synthetase from Methermicoccus shengliensis in complex with MgATP at 2.7 A resolution
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, GLYCEROL, ...
著者Mueller, M.-C, Lemaire, O.N, Wagner, T.
登録日2023-04-06
公開日2024-01-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Differences in regulation mechanisms of glutamine synthetases from methanogenic archaea unveiled by structural investigations.
Commun Biol, 7, 2024
7A5A
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BU of 7a5a by Molmil
Crimean-Congo Hemorrhagic Fever Virus Envelope Glycoprotein Gc W1191H/W1197A/W1199A Mutant in Postfusion Conformation (Monoclinic Crystal Form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Envelopment polyprotein
著者Hellert, J, Guardado-Calvo, P, Rey, F.A.
登録日2020-08-20
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献Structural basis of synergistic neutralization of Crimean-Congo hemorrhagic fever virus by human antibodies.
Science, 375, 2022
8OXT
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CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) H251A VARIANT COMPLEXED WITH N-ACETYLANTHRANILATE AS RESULT OF IN CRYSTALLO TURNOVER OF ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE UNDER HYPEROXIC CONDITIONS
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ...
著者Bui, S, Steiner, R.A.
登録日2023-05-02
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
8P4K
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Vaccinia Virus palisade layer A10 trimer
分子名称: Core protein OPG136
著者Datler, J, Hansen, J.M, Thader, A, Schloegl, A, Hodirnau, V.V, Schur, F.K.M.
登録日2023-05-22
公開日2024-01-17
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Multi-modal cryo-EM reveals trimers of protein A10 to form the palisade layer in poxvirus cores.
Nat.Struct.Mol.Biol., 31, 2024
8P8R
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Ex vivo Ym1 crystal structure
分子名称: 1,2-ETHANEDIOL, Chitinase-like protein 3
著者Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N.
登録日2023-06-02
公開日2024-01-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024

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件を2024-08-21に公開中

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