8VJ6
 
 | | GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 1 | | 分子名称: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, Isoform Flip of Glutamate receptor 2 | | 著者 | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | | 登録日 | 2024-01-05 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
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8VJ7
 | | GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 2 | | 分子名称: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, GLUTAMIC ACID, Isoform Flip of Glutamate receptor 2 | | 著者 | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | | 登録日 | 2024-01-05 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (4.85 Å) | | 主引用文献 | Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
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8VJJ
 | | Structure of mouse RyR1 (EGTA-only dataset) | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ... | | 著者 | Weninger, G, Marks, A.R. | | 登録日 | 2024-01-07 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | | 主引用文献 | Structural insights into the regulation of RyR1 by S100A1.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VJK
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8VJP
 | | Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1 | | 分子名称: | (4Z)-oct-4-en-1-ol, (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid, Histidine-covalent stapled alpha-helical peptide, ... | | 著者 | Muzzarelli, K.M, Assar, Z, Alboreggia, G, Pellecchia, M. | | 登録日 | 2024-01-07 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Histidine-Covalent Stapled Alpha-Helical Peptides Targeting hMcl-1.
J.Med.Chem., 67, 2024
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8VK3
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8VK4
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8VKQ
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8VKR
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8VKU
 | | Structure of VCP in complex with an ATPase activator (D2 domains only, hexameric form) | | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | 登録日 | 2024-01-09 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VKZ
 | | Crystal structure of Glucocorticoid Receptor in complex with an inhibitor | | 分子名称: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2 | | 著者 | Judge, R.A, Hobson, A.D. | | 登録日 | 2024-01-10 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.133 Å) | | 主引用文献 | Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties.
Rsc Med Chem, 15, 2024
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8VL7
 | | Co-crystal structure of human TREX1 in complex with an inhibitor | | 分子名称: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | 登録日 | 2024-01-11 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
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8VL9
 | | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue | | 分子名称: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | | 著者 | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | | 登録日 | 2024-01-11 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
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8VLG
 | | Cryo-EM structure of human HGSNAT bound with Acetyl-CoA and substrate analog | | 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, 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside, ... | | 著者 | Li, F, Zhao, B. | | 登録日 | 2024-01-11 | | 公開日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome
To Be Published
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8VLI
 | | Cryo-EM structure of human HGSNAT bound with CoA and product analog | | 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, 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ... | | 著者 | Li, F, Zhao, B. | | 登録日 | 2024-01-11 | | 公開日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome
To Be Published
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8VLQ
 | | Structure of PmHMGR bound to mevalonate, CoA and NAD 5 minutes after reaction initiation at pH 9 | | 分子名称: | (R)-MEVALONATE, (R)-mevaldehyde, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Purohit, V, Steussy, C.N, Stauffacher, C.V. | | 登録日 | 2024-01-12 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Biophys.J., 123, 2024
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8VLS
 | | Structure of VCP in complex with an ATPase activator (D2 domains only, dodecameric form) | | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | 登録日 | 2024-01-12 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VLX
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8VOV
 | | Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | 登録日 | 2024-01-16 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | 分子名称: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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8VQL
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime | | 分子名称: | (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 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 | Lin, T.H, Zhu, Y, Wilson, I.A. | | 登録日 | 2024-01-18 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQM
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime | | 分子名称: | (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 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 | Lin, T.H, Zhu, Y, Wilson, I.A. | | 登録日 | 2024-01-18 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQN
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R | | 分子名称: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | 著者 | Lin, T.H, Zhu, Y, Wilson, I.A. | | 登録日 | 2024-01-18 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQQ
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | | 著者 | Lin, T.H, Zhu, Y, Wilson, I.A. | | 登録日 | 2024-01-19 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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