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6YNE
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BU of 6yne by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 2 of 4.
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
著者Roversi, P, Lia, A.
登録日2020-04-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
5LXM
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BU of 5lxm by Molmil
Crystal structure of Aurora-A bound to a hydrocarbon-stapled proteomimetic of TPX2
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者McIntyre, P.J, Bayliss, R.
登録日2016-09-22
公開日2016-11-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A TPX2 Proteomimetic Has Enhanced Affinity for Aurora-A Due to Hydrocarbon Stapling of a Helix.
ACS Chem. Biol., 11, 2016
6R2E
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BU of 6r2e by Molmil
Crystal structure of the human thymidylate synthase (hTS) interface variant Q62R
分子名称: CHLORIDE ION, GLYCEROL, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ...
著者Pozzi, C, Mangani, M.
登録日2019-03-16
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Evidence of Destabilization of the Human Thymidylate Synthase (hTS) Dimeric Structure Induced by the Interface Mutation Q62R.
Biomolecules, 9, 2019
8G46
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BU of 8g46 by Molmil
Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2
分子名称: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ...
著者Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S.
登録日2023-02-08
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
7TA8
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BU of 7ta8 by Molmil
NMR structure of crosslinked cyclophilin A
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M.
登録日2021-12-20
公開日2022-06-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink.
J.Am.Chem.Soc., 144, 2022
6R4C
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BU of 6r4c by Molmil
Aurora-A in complex with shape-diverse fragment 57
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
著者Bayliss, R, McIntyre, P.J.
登録日2019-03-22
公開日2019-05-01
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6WGE
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BU of 6wge by Molmil
Cryo-EM structure of human Cohesin-NIPBL-DNA complex without STAG1
分子名称: DNA (43-MER), Double-strand-break repair protein rad21 homolog, MAGNESIUM ION, ...
著者Shi, Z.B, Gao, H, Bai, X.C, Yu, H.
登録日2020-04-05
公開日2020-05-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of the human cohesin-NIPBL-DNA complex.
Science, 368, 2020
6WGX
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BU of 6wgx by Molmil
Cocrystal of BRD4(D1) with a selective inhibitor
分子名称: 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
著者Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2020-04-06
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.
Angew.Chem.Int.Ed.Engl., 60, 2021
5LSK
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BU of 5lsk by Molmil
CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C COMPLEX
分子名称: Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ...
著者Vetter, I.R, Petrovic, A, Keller, J, Liu, Y.
登録日2016-09-02
公開日2016-11-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.502 Å)
主引用文献Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
8FCO
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BU of 8fco by Molmil
Cryo-EM structure of p97:UBXD1 meta state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
著者Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
6WJQ
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BU of 6wjq by Molmil
Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
分子名称: 3-phosphoinositide-dependent protein kinase 1, WD repeat-containing protein 5
著者Zhao, B, Fesik, S.
登録日2020-04-14
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Cell Rep, 2021
4HAY
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BU of 4hay by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548E,K579Q)-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
5MQ1
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BU of 5mq1 by Molmil
Crystal structure of the BRD7 bromodomain in complex with BI-9564
分子名称: 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7, ...
著者Diaz-Saez, L, Martin, L.J, Panagakou, I, Picaud, S, Krojer, T, von Delft, F, Knapp, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
登録日2016-12-19
公開日2018-01-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the BRD7 bromodomain in complex with BI-9564
To Be Published
4GYH
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BU of 4gyh by Molmil
Structure of human thymidylate synthase at high salt conditions
分子名称: SULFATE ION, Thymidylate synthase
著者Brunn, N, Dibrov, S, Hermann, T.
登録日2012-09-05
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Analysis of mRNA recognition by human thymidylate synthase.
Biosci.Rep., 34, 2014
6R4B
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BU of 6r4b by Molmil
Aurora-A in complex with shape-diverse fragment 56
分子名称: (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Bayliss, R, McIntyre, P.J.
登録日2019-03-22
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
4GOV
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BU of 4gov by Molmil
The crystal structure of human fascin 1 S39D mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
6X2S
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BU of 6x2s by Molmil
Crystal Structure of Mek1(NQ)NES peptide bound to CRM
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ...
著者Baumhardt, J.M.
登録日2020-05-20
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
6WVT
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BU of 6wvt by Molmil
Structural basis of alphaE-catenin - F-actin catch bond behavior
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Xu, X.P, Pokutta, S, Torres, M, Swift, M.F, Hanein, D, Volkmann, N, Weis, W.I.
登録日2020-05-06
公開日2020-10-07
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Structural basis of alpha E-catenin-F-actin catch bond behavior.
Elife, 9, 2020
7SE6
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BU of 7se6 by Molmil
Crystal structure of human Fibrillarin in ligand-free state
分子名称: FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEA
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BU of 7sea by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
6X7B
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BU of 6x7b by Molmil
BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212P
分子名称: 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4
著者Vann, K.R, Kutateladze, T.G.
登録日2020-05-29
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
8GRM
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BU of 8grm by Molmil
Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome
分子名称: COMMD3 protein, DNA (144-MER), DNA (145-MER), ...
著者Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
登録日2022-09-02
公開日2023-04-12
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
7SE7
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BU of 7se7 by Molmil
Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine
分子名称: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SED
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BU of 7sed by Molmil
Crystal structure of human Fibrillarin in complex with compound 2a
分子名称: FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEC
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BU of 7sec by Molmil
Crystal structure of human Fibrillarin in complex with compound 1a
分子名称: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021

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