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8KFX
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Gi bound CCR8 complex with nonpeptide agonist LMD-009
分子名称: 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiang, S, Lin, X, Wu, L.J, Xu, F.
登録日2023-08-16
公開日2024-02-07
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
8KFZ
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Gi bound CCR8 in ligand free state
分子名称: C-C chemokine receptor type 8,LgBiT fusion protein,Recombinant Human Rhinovirus, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Jiang, S, Lin, X, Wu, L.J, Xu, F.
登録日2023-08-16
公開日2024-02-07
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
8KFY
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Gi bound CCR8 complex with nonpeptide agonist ZK 756326
分子名称: 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiang, S, Lin, X, Wu, L.J, Xu, F.
登録日2023-08-16
公開日2024-02-07
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
3H0H
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BU of 3h0h by Molmil
human Fyn SH3 domain R96I mutant, crystal form I
分子名称: Proto-oncogene tyrosine-protein kinase Fyn, TETRAETHYLENE GLYCOL
著者Dumas, C, Strub, M.-P, Arold, S.T.
登録日2009-04-09
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
7JMN
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BU of 7jmn by Molmil
Tail module of Mediator complex
分子名称: MED15, Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 16, ...
著者Zhang, H.Q, Chen, D.C.
登録日2020-08-02
公開日2021-03-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Mediator structure and conformation change.
Mol.Cell, 81, 2021
3PL9
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BU of 3pl9 by Molmil
Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R.
登録日2010-11-14
公開日2011-02-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
7KLZ
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Structure of SPOP MATH domain in complex with a Geminin peptide
分子名称: Geminin peptide, PHOSPHATE ION, Speckle-type POZ protein
著者Cui, G, Botuyan, M.V, Mer, G.
登録日2020-11-01
公開日2021-08-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献SPOP mutation induces replication over-firing by impairing Geminin ubiquitination and triggers replication catastrophe upon ATR inhibition.
Nat Commun, 12, 2021
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
分子名称: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
著者Ferguson, A, Collie, G.W.
登録日2020-05-22
公開日2020-12-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
3H0I
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BU of 3h0i by Molmil
human Fyn SH3 domain R96I mutant, crystal form II
分子名称: Proto-oncogene tyrosine-protein kinase Fyn
著者Dumas, C, Strub, M.-P, Arold, S.T.
登録日2009-04-09
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
6E9R
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BU of 6e9r by Molmil
DHF46 filament
分子名称: DHF46 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
7XC3
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BU of 7xc3 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M)
分子名称: Papain-like protease nsp3
著者Li, J, Gao, J.
登録日2022-03-22
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
7XC4
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BU of 7xc4 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin
分子名称: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3
著者Li, J, Liu, Y, Gao, J, Ruan, K.
登録日2022-03-22
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
5MQY
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BU of 5mqy by Molmil
CATHEPSIN L IN COMPLEX WITH 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
分子名称: 1,2-ETHANEDIOL, 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile, Cathepsin L1
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-12-21
公開日2017-03-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors.
J. Med. Chem., 60, 2017
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2019-06-06
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5MOM
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BU of 5mom by Molmil
Crystal Structure of PCNA encoding the hypomorphic mutation S228I
分子名称: Proliferating cell nuclear antigen
著者Biasutto, A.J, Mancini, E.J, Green, C.M, Wilson, R.H.C.
登録日2016-12-14
公開日2017-01-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献PCNA dependent cellular activities tolerate dramatic perturbations in PCNA client interactions.
DNA Repair (Amst.), 50, 2017
7XWA
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BU of 7xwa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Suzuki, T, Kimura, K, Hashiguchi, T.
登録日2022-05-26
公開日2022-09-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5.
Cell, 185, 2022
4J6I
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BU of 4j6i by Molmil
Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform
分子名称: 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Rouge, L, Wu, P.
登録日2013-02-11
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform.
Bioorg.Med.Chem.Lett., 23, 2013
6K32
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RdRp complex
分子名称: 2'-O-methyladenosine 5'-(dihydrogen phosphate), 7-METHYLGUANOSINE, DIPHOSPHATE, ...
著者Li, X.W.
登録日2019-05-16
公開日2019-11-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of RdRps Within a Transcribing dsRNA Virus Provides Insights Into the Mechanisms of RNA Synthesis.
J.Mol.Biol., 432, 2020
7YOV
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BU of 7yov by Molmil
Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
分子名称: NDV P protein, RNA-directed RNA polymerase L
著者Chen, Y, Jingyuan, C, Xiaoying, F.
登録日2022-08-02
公開日2023-02-15
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
7YOT
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Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
分子名称: NDV P protein, RNA-directed RNA polymerase L
著者Chen, Y, Jingyuan, C.
登録日2022-08-02
公開日2023-02-15
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
7YOU
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BU of 7you by Molmil
Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
分子名称: NDV P protein, RNA-directed RNA polymerase L
著者Chen, Y, Jingyuan, C, Xiaoying, F.
登録日2022-08-02
公開日2023-02-15
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
8HW4
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Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs
分子名称: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3
著者Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
登録日2022-12-28
公開日2023-06-07
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
3MOW
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Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
分子名称: (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, Tyrosine-protein phosphatase non-receptor type 11
著者Zhang, Z.-Y, Liu, S, Yu, Z, Yu, X.
登録日2010-04-23
公開日2011-05-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
To be Published

226707

件を2024-10-30に公開中

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