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9GR5
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The MKAA-RSL - sulfonato-calix[4]arene complex
分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Fucose-binding lectin protein, beta-D-fructopyranose
著者Mockler, N.M, Ramberg, K.O, Flood, R.J, Crowley, P.B.
登録日2024-09-10
公開日2025-03-05
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献N-Terminal Protein Binding and Disorder-to-Order Transition by a Synthetic Receptor.
Biochemistry, 64, 2025
9H1A
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BU of 9h1a by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD014
分子名称: (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2024-10-09
公開日2025-04-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
9H1C
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BU of 9h1c by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD014
分子名称: (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2024-10-09
公開日2025-04-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
9H1E
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BU of 9h1e by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD016
分子名称: (2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Cozier, G.E, Acharya, K.R.
登録日2024-10-09
公開日2025-04-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
9H1B
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BU of 9h1b by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD015
分子名称: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2024-10-09
公開日2025-04-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
9I2S
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BU of 9i2s by Molmil
Velvet domain of the transcriptional regulator VeA
分子名称: Developmental and secondary metabolism regulator veA
著者Neumann, P, Ficner, R.
登録日2025-01-22
公開日2025-05-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Velvet domain of the transcriptional regulator VeA
To Be Published
9GU3
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BU of 9gu3 by Molmil
Human adult muscle nAChR in desensitised state in nanodisc with 1 mM acetylcholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y.
登録日2024-09-18
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
9FUO
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BU of 9fuo by Molmil
Crystal structure of SNAr1.3 (K39A)
分子名称: CHLORIDE ION, Chain A, DI(HYDROXYETHYL)ETHER, ...
著者Roberts, G.R, Leys, D.
登録日2024-06-26
公開日2025-01-29
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Engineered enzymes for enantioselective nucleophilic aromatic substitutions.
Nature, 639, 2025
9GP2
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BU of 9gp2 by Molmil
apoJ22.9 Unliganded structure of an Fab fragment from the therapeutic antibody J22.9-xi
分子名称: Chains: H, Chains: L
著者Marino, S.F, Daumke, O.
登録日2024-09-06
公開日2024-09-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献apoJ22.9 Unliganded structure of an Fab fragment from the therapeutic antibody J22.9-xi
To Be Published
9G65
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BU of 9g65 by Molmil
Crystal structure of the engineered photoenzyme SpEnT1.3
分子名称: DI(HYDROXYETHYL)ETHER, Engineered photoenzyme SpEnT1.3, MAGNESIUM ION, ...
著者Hardy, F.J, Roberts, G.W.
登録日2024-07-18
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9FYV
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BU of 9fyv by Molmil
Crystal structure of the engineered photoenzyme VEnT1.3
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, VEnT1.3
著者Hardy, F.J, Roberts, G.W.
登録日2024-07-04
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9H0N
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BU of 9h0n by Molmil
Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with Galacto-N-biose
分子名称: Extracellular solute-binding protein, family 1, SODIUM ION, ...
著者Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P.
登録日2024-10-08
公開日2025-07-02
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
9H0O
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BU of 9h0o by Molmil
Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with Lacto-N-biose
分子名称: CALCIUM ION, Extracellular solute-binding protein, family 1, ...
著者Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P.
登録日2024-10-08
公開日2025-07-02
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
9H0P
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BU of 9h0p by Molmil
Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with H1 trisaccharide
分子名称: Extracellular solute-binding protein, family 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P.
登録日2024-10-08
公開日2025-07-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
9FMX
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BU of 9fmx by Molmil
Aerolysin Y221G - prepore
分子名称: Aerolysin
著者Iacovache, I, Zuber, B.
登録日2024-06-07
公開日2025-02-12
最終更新日2025-02-19
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Aerolysin Nanopore Structures Revealed at High Resolution in a Lipid Environment.
J.Am.Chem.Soc., 147, 2025
9G59
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BU of 9g59 by Molmil
Pseudomonas aeruginosa periplasmic aspartic peptidase PA0462 (RloA2)
分子名称: Putative ATP-dependent zinc protease domain-containing protein
著者Lormand, J.D, Sondermann, H.
登録日2024-07-16
公開日2025-04-09
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Secreted retropepsin-like enzymes are essential for stress tolerance and biofilm formation in Pseudomonas aeruginosa.
Biorxiv, 2025
9GJU
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BU of 9gju by Molmil
Structure of replicating Nipah Virus RNA Polymerase Complex - RNA-bound state
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Phosphoprotein, ...
著者Sala, F, Ditter, K, Dybkov, O, Urlaub, H, Hillen, H.S.
登録日2024-08-22
公開日2025-03-05
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of Nipah virus RNA synthesis.
Nat Commun, 16, 2025
9G3A
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BU of 9g3a by Molmil
Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperature, 160 K
分子名称: CADMIUM ION, METP ARTIFICIAL PROTEIN
著者Di Costanzo, L, La Gatta, S, Chino, M.
登録日2024-07-12
公開日2024-12-04
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into temperature-dependent dynamics of METPsc1, a miniaturized electron-transfer protein.
J.Inorg.Biochem., 264, 2025
9GU1
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BU of 9gu1 by Molmil
Human adult muscle nAChR in resting state in nanodisc with alpha-bungarotoxin
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, Acetylcholine receptor subunit alpha, ...
著者Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y.
登録日2024-09-18
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
9GU2
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BU of 9gu2 by Molmil
Human adult muscle nAChR in desensitised state in nanodisc with 100 uM acetylcholine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y.
登録日2024-09-18
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
9HZ0
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BU of 9hz0 by Molmil
Protein kinase MKK7 in complex with K221 targeting compound 1
分子名称: 5-(2~{H}-indazol-3-yl)-2-methyl-phenol, Dual specificity mitogen-activated protein kinase kinase 7
著者Wiese, J.N, Mueller, M.P, Rauh, D.
登録日2025-01-12
公開日2025-06-04
最終更新日2025-06-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational Design of Lysine Targeting Covalent Binders Using Rosetta.
J.Chem.Inf.Model., 65, 2025
9ETL
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BU of 9etl by Molmil
Mouse CNPase catalytic domain with nanobody 8D
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, Chains: D,C
著者Schroder, M, Markusson, S, Raasakka, A, Opazo, F, Kursula, P.
登録日2024-03-26
公開日2024-12-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mouse CNPase catalytic domain with nanobody 8D
To Be Published
9F9S
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BU of 9f9s by Molmil
Yeast SDD1 Disome with Mbf1
分子名称: 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, 40S ribosomal protein S10-A, ...
著者Denk, T, Beckmann, R.
登録日2024-05-08
公開日2024-12-04
最終更新日2024-12-18
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Multiprotein bridging factor 1 is required for robust activation of the integrated stress response on collided ribosomes.
Mol.Cell, 84, 2024
9FFY
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BU of 9ffy by Molmil
Cryo-EM structure of the alpha1beta3gamma2 GABA(A) receptor in complex with GABA and Nb38 in the short-lived asymmetric open1 state
分子名称: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
著者Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
登録日2024-05-23
公開日2025-06-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of the alpha1beta3gamma2 GABA(A) receptor in complex with GABA and Nb38 in the short-lived asymmetric open1 state
To Be Published
9FTW
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BU of 9ftw by Molmil
Crystal structure of calcium-activated EndoU
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Fribourg, S, Campagne, S.
登録日2024-06-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular Basis for the Calcium-Dependent Activation of the Ribonuclease EndoU.
Res Sq, 2024

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件を2025-07-09に公開中

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