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7JTP
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Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
分子名称: Elongin-B, Elongin-C, GLYCEROL, ...
著者Kottur, J, Jain, R, Aggarwal, A.K.
登録日2020-08-18
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
7JTO
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Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
分子名称: 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ...
著者Kottur, J, Jain, R, Aggarwal, A.K.
登録日2020-08-18
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
7K59
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Structure of apo VCP hexamer generated from bacterially recombinant VCP/p97
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7K56
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Structure of VCP dodecamer purified from H1299 cells
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7K57
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Structure of apo VCP dodecamer generated from bacterially recombinant VCP/p97
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7JPN
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BU of 7jpn by Molmil
Cryo-EM structure of Arpin-bound Arp2/3 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
著者van Eeuwen, T, Fregoso, F.E, Dominguez, R, Zimmet, A, Boczkowska, M, Rebowski, G.
登録日2020-08-09
公開日2022-02-09
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Molecular mechanism of Arp2/3 complex inhibition by Arpin.
Nat Commun, 13, 2022
7KK6
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BU of 7kk6 by Molmil
Structure of the catalytic domain of PARP1 in complex with veliparib
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7JKX
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Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-6
分子名称: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide
著者Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
登録日2020-07-29
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-6
To Be Published
7KA2
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BU of 7ka2 by Molmil
Aldolase, rabbit muscle (beam-tilt refinement x2)
分子名称: Fructose-bisphosphate aldolase A
著者Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y.
登録日2020-09-29
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
7HSC
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BU of 7hsc by Molmil
HIGH RESOLUTION SOLUTION STRUCTURE OF THE HEAT SHOCK COGNATE-70 KD SUBSTRATE BINDING DOMAIN OBTAINED BY MULTIDIMENSIONAL NMR TECHNIQUES
分子名称: PROTEIN (HEAT SHOCK COGNATE 70 KD PROTEIN 1)
著者Morshauser, R.C, Hu, W, Wang, H, Pang, Y, Flynn, G.C, Zuiderweg, E.R.P.
登録日1999-05-03
公開日1999-05-10
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of the 18 kDa substrate-binding domain of the mammalian chaperone protein Hsc70.
J.Mol.Biol., 289, 1999
7KK3
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BU of 7kk3 by Molmil
Structure of the catalytic domain of PARP1 in complex with talazoparib
分子名称: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, Poly [ADP-ribose] polymerase 1
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KHL
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BU of 7khl by Molmil
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
分子名称: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.286 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KZR
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BU of 7kzr by Molmil
Structure of the human Fanconi Anaemia Core-UBE2T-ID complex
分子名称: E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, Fanconi anemia core complex-associated protein 20, ...
著者Wang, S.L, Pavletich, N.P.
登録日2020-12-10
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7L1A
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BU of 7l1a by Molmil
Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP)
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, MAGNESIUM ION, ...
著者Niland, C.N, Fedorov, E, Schramm, V.L, Ghosh, A.
登録日2020-12-14
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism and Inhibition of Human Methionine Adenosyltransferase 2A.
Biochemistry, 60, 2021
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
7K9X
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BU of 7k9x by Molmil
Aldolase, rabbit muscle (beam-tilt refinement x1)
分子名称: Fructose-bisphosphate aldolase A
著者Kearns, S.K, Cash, J.N, Cianfrocco, M.A.
登録日2020-09-29
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
7JZJ
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BU of 7jzj by Molmil
Crystal structure demonstrating CTD-CTD interactions of Zaire Ebola virus VP40 dimer
分子名称: Matrix protein VP40, PENTAETHYLENE GLYCOL
著者Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
登録日2020-09-02
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
7K9L
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BU of 7k9l by Molmil
Aldolase, rabbit muscle (no beam-tilt refinement)
分子名称: Fructose-bisphosphate aldolase A
著者Cianfrocco, M.A, Kearns, S.E, Cash, J.N, Li, Y.
登録日2020-09-29
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
7JY5
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BU of 7jy5 by Molmil
Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97)
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Pan, M, Yu, Y, Liu, L, Zhao, M.
登録日2020-08-28
公開日2021-01-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
7L5W
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BU of 7l5w by Molmil
p97-R155H mutant dodecamer I
分子名称: Transitional endoplasmic reticulum ATPase
著者Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L.
登録日2020-12-23
公開日2021-08-04
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes.
Int J Mol Sci, 22, 2021
7L5X
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p97-R155H mutant dodecamer II
分子名称: Transitional endoplasmic reticulum ATPase
著者Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L.
登録日2020-12-23
公開日2021-08-04
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes.
Int J Mol Sci, 22, 2021
7KQ1
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BU of 7kq1 by Molmil
PCNA bound to truncated peptide mimetic
分子名称: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
著者Vandborg, B.A, Bruning, J.B.
登録日2020-11-13
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
7KQ0
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BU of 7kq0 by Molmil
PCNA bound to peptide mimetic
分子名称: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
著者Vandborg, B.A, Bruning, J.B.
登録日2020-11-13
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021

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