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6TRS
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BU of 6trs by Molmil
Crystal structure of TFIIH subunit p52 in complex with p8
分子名称: RNA polymerase II transcription factor B subunit 2, Uncharacterized protein
著者Koelmel, W, Kuper, J, Schoenwetter, E, Kisker, C.
登録日2019-12-19
公開日2020-10-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH.
Nucleic Acids Res., 48, 2020
6TS0
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BU of 6ts0 by Molmil
Crystal structure of human L ferritin (HuLf) triple variant E60A-E61A-E64A Fe(III)-loaded for 30 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-19
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TSX
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BU of 6tsx by Molmil
Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 30 minutes
分子名称: CADMIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-21
公開日2020-02-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6T61
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BU of 6t61 by Molmil
A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH8
分子名称: Gag polyprotein
著者Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M.
登録日2019-10-17
公開日2020-01-15
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly.
Plos Pathog., 16, 2020
6T7H
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BU of 6t7h by Molmil
Crystal structure of Thrombin in complex with macrocycle N14-PR4-A
分子名称: (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Angelini, A, Kumar, M.G, Heinis, C, Cendron, L.
登録日2019-10-22
公開日2020-09-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries.
Chem Sci, 11, 2020
6TNZ
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BU of 6tnz by Molmil
Human polymerase delta-FEN1-PCNA toolbelt
分子名称: DNA polymerase delta catalytic subunit, DNA polymerase delta subunit 2, DNA polymerase delta subunit 3, ...
著者Lancey, C, Hamdan, S.M, De Biasio, A.
登録日2019-12-10
公開日2019-12-18
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Structure of the processive human Pol delta holoenzyme.
Nat Commun, 11, 2020
6T7X
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BU of 6t7x by Molmil
Crystal structure of PCNA from P. abyssi
分子名称: DNA polymerase sliding clamp
著者Madru, C, Raia, P, Hugonneau Beaufet, I, Delarue, M, Carroni, M, Sauguet, L.
登録日2019-10-23
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.
Nat Commun, 11, 2020
6TQ6
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BU of 6tq6 by Molmil
Crystal structure of the Orexin-1 receptor in complex with Compound 14
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, Orexin receptor type 1, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-16
公開日2020-01-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.546 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
6TGY
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BU of 6tgy by Molmil
Cryo-EM structure of p62-PB1 filament (L-type)
分子名称: Sequestosome-1
著者Jakobi, A.J, Huber, S.T, Mortensen, S.A, Sachse, C.
登録日2019-11-18
公開日2020-02-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of p62/SQSTM1 helical filaments and their role in cellular cargo uptake.
Nat Commun, 11, 2020
6TBX
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BU of 6tbx by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with a tricyclic-based inhibitor
分子名称: 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol, ACETATE ION, GLYCEROL, ...
著者Landi, G, Tassone, G, Pozzi, C, Mangani, S.
登録日2019-11-04
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High-resolution crystal structure of Trypanosoma brucei pteridine reductase 1 in complex with an innovative tricyclic-based inhibitor.
Acta Crystallogr D Struct Biol, 76, 2020
6TEQ
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BU of 6teq by Molmil
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ...
著者Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A.
登録日2019-11-12
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
6TUR
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BU of 6tur by Molmil
human XPG, Apo1 form
分子名称: DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells
著者Ruiz, F.M, Fernandez-Tornero, C.
登録日2020-01-08
公開日2020-09-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
6T2W
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BU of 6t2w by Molmil
Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4)
分子名称: 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION
著者Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
登録日2019-10-09
公開日2020-01-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
6THP
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BU of 6thp by Molmil
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid, Neprilysin, ...
著者Schiering, N, Wiesmann, C.
登録日2019-11-21
公開日2020-02-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6T3M
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BU of 6t3m by Molmil
Thrombin in Complex with a D-Phe-Pro-p-phenol derivative
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ...
著者Ngo, K, Collins, C, Heine, A, Klebe, G.
登録日2019-10-11
公開日2020-11-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Thrombin in Complex with a D-Phe-Pro-p-phenol derivative
To Be Published
6T63
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BU of 6t63 by Molmil
A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH6
分子名称: Gag polyprotein
著者Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M.
登録日2019-10-17
公開日2020-01-15
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly.
Plos Pathog., 16, 2020
6T78
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BU of 6t78 by Molmil
Structure of human Sox11 transcription factor in complex with a short DNA fragment
分子名称: DNA (5'-D(*AP*AP*CP*AP*AP*AP*AP*TP*AP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*GP*TP*TP*TP*AP*TP*TP*TP*TP*GP*TP*T)-3'), Transcription factor SOX-11
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
6T8N
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BU of 6t8n by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
分子名称: 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ...
著者Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-10-24
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published
6TCY
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BU of 6tcy by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS555
分子名称: 1,2-ETHANEDIOL, 2-METHOXYETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
著者Stransky, J, Barinka, C.
登録日2019-11-06
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational Design of Suprastat: A Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models.
J.Med.Chem., 63, 2020
6TD4
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BU of 6td4 by Molmil
IRF4 DNA-binding domain surface entropy mutant apo structure
分子名称: CHLORIDE ION, Interferon regulatory factor 4
著者Tucker, J.A, Martin, M.P, Wang, L.Z, Jennings, C, Heath, R.
登録日2019-11-07
公開日2020-11-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Cancer-associated mutations in the IRF4 DNA-binding domain confer no disadvantage in DNA-binding affinity and may increase transcriptional activity
To Be Published
6TFA
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BU of 6tfa by Molmil
Structure of the engineered retro-aldolase RA95.5-8F F112L
分子名称: F112L RA95.5-8F
著者Klaus, C, Macdonald, D.S, Hilvert, D.
登録日2019-11-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献Engineered Artificial Carboligases Facilitate Regioselective Preparation of Enantioenriched Aldol Adducts.
J.Am.Chem.Soc., 142, 2020
6TBM
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BU of 6tbm by Molmil
Structure of SAGA bound to TBP, including Spt8 and DUB
分子名称: Polyubiquitin-B, SAGA-associated factor 11, Spt20, ...
著者Papai, G, Frechard, A, Kolesnikova, O, Crucifix, C, Schultz, P, Ben-Shem, A.
登録日2019-11-01
公開日2020-02-12
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Structure of SAGA and mechanism of TBP deposition on gene promoters.
Nature, 577, 2020
6TDA
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BU of 6tda by Molmil
Structure of SWI/SNF chromatin remodeler RSC bound to a nucleosome
分子名称: Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC58, ...
著者Wagner, F.R, Dienemann, C, Wang, H, Stuetzer, A, Tegunov, D, Urlaub, H, Cramer, P.
登録日2019-11-08
公開日2020-03-18
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Structure of SWI/SNF chromatin remodeller RSC bound to a nucleosome.
Nature, 579, 2020
9FO2
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BU of 9fo2 by Molmil
Coxsackievirus A9 bound with compound 15 (CL278)
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2024-06-11
公開日2024-10-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 67, 2024
6TRD
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BU of 6trd by Molmil
Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Koelsch, A, Radon, C, Baumert, A, Buerger, J, Mielke, T, Lisdat, F, Zouni, A, Wendler, P.
登録日2019-12-18
公開日2020-09-16
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I
Curr.Opin.Struct.Biol., 2, 2020

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