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9DQJ
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BU of 9dqj by Molmil
CryoEM structure of Gq-coupled MRGPRD with a new agonist EP-3945
分子名称: 2-({1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-4-yl}amino)quinazolin-4(3H)-one, 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Cao, C, Wang, C, Liu, Y, Fay, J.F, Roth, B.L.
登録日2024-09-24
公開日2024-12-11
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献High-affinity agonists reveal recognition motifs for the MRGPRD GPCR.
Cell Rep, 43, 2024
9FBX
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BU of 9fbx by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ...
著者Chung, C.
登録日2024-05-14
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
9FBY
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BU of 9fby by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2024-05-14
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
9EO9
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BU of 9eo9 by Molmil
SF type tau filament from V337M mutant
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-07-10
最終更新日2025-03-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W.
Nat.Struct.Mol.Biol., 2025
9EO7
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BU of 9eo7 by Molmil
PHF type tau filament from V337M mutant
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-07-10
最終更新日2025-03-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W.
Nat.Struct.Mol.Biol., 2025
9EOE
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BU of 9eoe by Molmil
TF type tau filament from V337M mutant
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-07-10
最終更新日2025-03-26
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W.
Nat.Struct.Mol.Biol., 2025
9FCZ
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BU of 9fcz by Molmil
Coxsackievirus A9 bound with compound 17 (CL301)
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C.
登録日2024-05-16
公開日2024-10-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 67, 2024
9EXI
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BU of 9exi by Molmil
Coxsackievirus A9 bound with compound 14 (CL275)
分子名称: 4-[(4-methylpiperazin-1-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]aniline, Capsid protein VP1, Capsid protein VP2, ...
著者Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C.
登録日2024-04-08
公開日2024-10-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.31 Å)
主引用文献SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 67, 2024
9FA9
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BU of 9fa9 by Molmil
Coxsackievirus A9 bound with compound 16 (CL298)
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C.
登録日2024-05-10
公開日2024-10-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 67, 2024
8ROB
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BU of 8rob by Molmil
Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - ATPgS-Mg-bound conformation
分子名称: 64-kDa C-terminal product, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.5019 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8ROF
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BU of 8rof by Molmil
Human cohesin SMC1A-HD(shortCC-EQ)/RAD21-C complex - ADP-Mg-bound conformation
分子名称: 64-kDa C-terminal product, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8RO7
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BU of 8ro7 by Molmil
Human cohesin SMC1A-HD(longCC)/RAD21-C complex - Open/closed P-loop conformation
分子名称: 64-kDa C-terminal product, Structural maintenance of chromosomes protein 1A (SMC1A)
著者Shaik, T.B, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.0929 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8RO8
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BU of 8ro8 by Molmil
Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - Apo closed P-loop conformation
分子名称: 64-kDa C-terminal product, Structural maintenance of chromosomes protein 1A
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8RO9
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BU of 8ro9 by Molmil
Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - Open/closed P-loop conformation
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 64-kDa C-terminal product, Structural maintenance of chromosomes protein 1A
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.767 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8ROC
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BU of 8roc by Molmil
Human cohesin SMC1A-HD(shortCC-EQ)/RAD21-C complex - Apo closed P-loop conformation
分子名称: 64-kDa C-terminal product, Structural maintenance of chromosomes protein 1A
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8ROE
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BU of 8roe by Molmil
Human cohesin SMC1A-HD(shortCC-EQ)/RAD21-C complex - ADP-bound conformation
分子名称: 64-kDa C-terminal product, ADENOSINE-5'-DIPHOSPHATE, Structural maintenance of chromosomes protein 1A
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8ROG
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BU of 8rog by Molmil
Human cohesin SMC1A-HD(shortCC-EQ)/RAD21-C complex - ATPgS-Mg-bound conformation
分子名称: 64-kDa C-terminal product, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8ROJ
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BU of 8roj by Molmil
Human cohesin SMC3-HD/RAD21-N complex - ADP-Mg-bound conformation
分子名称: ADENOSINE-5'-DIPHOSPHATE, Double-strand-break repair protein rad21 homolog, MAGNESIUM ION, ...
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
4CID
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BU of 4cid by Molmil
Structural insights into the N-terminus of the EHD2 ATPase
分子名称: CALCIUM ION, EH DOMAIN-CONTAINING PROTEIN 2, MAGNESIUM ION, ...
著者Shah, C, Daumke, O.
登録日2013-12-06
公開日2014-02-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights Into Membrane Interaction and Caveolar Targeting of Dynamin-Like Ehd2.
Structure, 22, 2014
8ROI
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BU of 8roi by Molmil
Human cohesin SMC3-HD(EQ)/RAD21-N complex - ADP-bound conformation
分子名称: ADENOSINE-5'-DIPHOSPHATE, Double-strand-break repair protein rad21 homolog, Structural maintenance of chromosomes protein 3
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8ROA
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BU of 8roa by Molmil
Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - ADP-bound conformation
分子名称: 64-kDa C-terminal product, ADENOSINE-5'-DIPHOSPHATE, Structural maintenance of chromosomes protein 1A
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.4355 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8ROH
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BU of 8roh by Molmil
Human cohesin SMC3-HD(EQ)/RAD21-N complex - Apo conformation
分子名称: Double-strand-break repair protein rad21 homolog, GLYCEROL, SULFATE ION, ...
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
8ROL
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BU of 8rol by Molmil
Human cohesin SMC3-HD(EQ)/RAD21-N complex - ATP-Mg-bound conformation - Form 2
分子名称: Double-strand-break repair protein rad21 homolog, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Vitoria Gomes, M, Romier, C.
登録日2024-01-11
公開日2024-09-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Cell Rep, 43, 2024
4CLW
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BU of 4clw by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate soaked with bisulfite
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CIY
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BU of 4ciy by Molmil
Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid
分子名称: (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
登録日2013-12-17
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 2014

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件を2025-07-09に公開中

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