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7QYB
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BU of 7qyb by Molmil
Proteasome-ZFAND5 Complex Z-C state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
6QGE
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BU of 6qge by Molmil
Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer
分子名称: (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3
著者Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T.
登録日2019-01-11
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
7QW4
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BU of 7qw4 by Molmil
Pden_5119 protein
分子名称: NADPH-dependent FMN reductase
著者Kryl, M, Sedlacek, V.
登録日2022-01-24
公開日2023-02-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Insight into Catalysis by the Flavin-Dependent NADH Oxidase (Pden_5119) of Paracoccus denitrificans .
Int J Mol Sci, 24, 2023
7QZ1
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BU of 7qz1 by Molmil
Formate dehydrogenase from Starkeya novella
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ...
著者Pontillo, N, Slotboom, D.J, Guskov, A.
登録日2022-01-30
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and structural insight into the chemical resistance and cofactor specificity of the formate dehydrogenase from Starkeya novella.
Febs J., 290, 2023
7QZS
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BU of 7qzs by Molmil
Crystal structure of mouse CNPase catalytic domain, G324D mutant
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION
著者Markusson, S, Kursula, P.
登録日2022-01-31
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of mouse CNPase catalytic domain, G324D mutant
To Be Published
7QZK
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BU of 7qzk by Molmil
Crystal structure of mouse CNPase catalytic domain, V318I mutant
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CITRIC ACID
著者Markusson, S, Kursula, P.
登録日2022-01-31
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of mouse CNPase catalytic domain, V318I mutant
To Be Published
7QXW
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BU of 7qxw by Molmil
Proteasome-ZFAND5 Complex Z+D state
分子名称: 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
6QGN
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BU of 6qgn by Molmil
Crystal structure of APT1 bound to 2-Bromopalmitate
分子名称: 2-Bromopalmitic acid, Acyl-protein thioesterase 1
著者Marcaida, M.J, Audagnotto, M, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M.
登録日2019-01-12
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains.
Nat.Chem.Biol., 2021
7QYA
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BU of 7qya by Molmil
Proteasome-ZFAND5 Complex Z-B state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
7QUM
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BU of 7qum by Molmil
ATAD2 in complex with FragLite2
分子名称: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-18
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
6QHB
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BU of 6qhb by Molmil
Crystal Structure of Human Kallikrein 6 in complex with GSK578724A
分子名称: GLYCEROL, Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
著者Thorpe, J.H.
登録日2019-01-16
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QJ1
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BU of 6qj1 by Molmil
Crystal structure of the C. thermophilum condensin Smc2 ATPase head (crystal from I)
分子名称: Structural maintenance of chromosomes protein,Structural maintenance of chromosomes protein
著者Hassler, M, Haering, C.H.
登録日2019-01-22
公開日2019-07-03
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural Basis of an Asymmetric Condensin ATPase Cycle.
Mol.Cell, 74, 2019
7QZM
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BU of 7qzm by Molmil
ATAD2 in complex with FragLite28
分子名称: 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-31
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYK
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BU of 7qyk by Molmil
ATAD2 in complex with FragLite18
分子名称: (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-28
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QLB
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BU of 7qlb by Molmil
SMYD3 in complex with fragment FL06268
分子名称: 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-20
公開日2023-03-29
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
6QJU
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BU of 6qju by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine
分子名称: 1,2-ETHANEDIOL, 3-bromanyl-2~{H}-indazol-5-amine, Bromodomain-containing protein 3, ...
著者Braun, M.B, Stehle, T, Heidrich, J.
登録日2019-01-25
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.202 Å)
主引用文献Br-O-modomain (BRD3) halogen binding to a small molecule
To Be Published
7QOF
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BU of 7qof by Molmil
Icosahedral capsid of the phicrAss001 virion
分子名称: Auxiliary capsid protein gp36, Head fiber dimer protein gp29, Head fiber trimer protein gp21, ...
著者Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A.
登録日2021-12-24
公開日2023-03-29
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural atlas of a human gut crassvirus.
Nature, 617, 2023
6QHR
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BU of 6qhr by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1m
分子名称: 1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-17
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
7QOG
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BU of 7qog by Molmil
Portal protein assembly of the phicrAss001 virion with C12 symmetry imposed
分子名称: Cargo protein 1 gp45, Portal protein gp20, Ring protein 1 gp43, ...
著者Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A.
登録日2021-12-24
公開日2023-03-29
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural atlas of a human gut crassvirus.
Nature, 617, 2023
7QOH
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BU of 7qoh by Molmil
Unique vertex of the phicrAss001 virion with C5 symmetry imposed
分子名称: Auxiliary capsid protein gp36, Head fiber trimer protein gp21, MAGNESIUM ION, ...
著者Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A.
登録日2021-12-24
公開日2023-03-29
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structural atlas of a human gut crassvirus.
Nature, 617, 2023
7QNU
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BU of 7qnu by Molmil
SMYD3 in complex with fragment FL08619
分子名称: BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
6QI4
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NCS-1 bound to a ligand
分子名称: 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ...
著者Sanchez-Barrena, M.J, Blanco-Gabella, P.
登録日2019-01-17
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
7QOJ
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BU of 7qoj by Molmil
Tail barrel assembly of the phicrAss001 virion with C12 symmetry imposed
分子名称: Cargo protein 1 gp45, MAGNESIUM ION, Portal protein gp20, ...
著者Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A.
登録日2021-12-24
公開日2023-03-29
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural atlas of a human gut crassvirus.
Nature, 617, 2023
6QIO
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Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the human growth hormone derivative somapacitan
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, CYSTEINE, ...
著者Johansson, E.
登録日2019-01-21
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of Binding Sites on Human Serum Albumin for Somapacitan, a Long-Acting Growth Hormone Derivative.
Biochemistry, 59, 2020
6QK1
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R2-like ligand-binding oxidase Y175F mutant with aerobically reconstituted Mn/Fe cofactor
分子名称: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
著者Griese, J.J, Hogbom, M.
登録日2019-01-28
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein.
J.Am.Chem.Soc., 142, 2020

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件を2024-07-10に公開中

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