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2AZE
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BU of 2aze by Molmil
Structure of the Rb C-terminal domain bound to an E2F1-DP1 heterodimer
分子名称: Retinoblastoma-associated protein, Transcription factor Dp-1, Transcription factor E2F1
著者Rubin, S.M, Gall, A.L, Zheng, N, Pavletich, N.P.
登録日2005-09-10
公開日2006-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of the Rb C-terminal domain bound to E2F1-DP1: a mechanism for phosphorylation-induced E2F release.
Cell(Cambridge,Mass.), 123, 2005
5E84
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BU of 5e84 by Molmil
ATP-bound state of BiP
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L.
登録日2015-10-13
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
6LQG
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BU of 6lqg by Molmil
Human gamma-secretase in complex with small molecule Avagacestat
分子名称: (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
登録日2020-01-13
公開日2021-01-27
最終更新日2021-02-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
6LR4
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BU of 6lr4 by Molmil
Molecular basis for inhibition of human gamma-secretase by small molecule
分子名称: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
登録日2020-01-15
公開日2021-01-27
最終更新日2021-02-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
2BW2
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BU of 2bw2 by Molmil
BofC from Bacillus subtilis
分子名称: BYPASS OF FORESPORE C
著者Patterson, H.M, Brannigan, J.A, Cutting, S.M, Wilson, K.S, Wilkinson, A.J, Ab, E, Diercks, T, Folkers, G.E, de Jong, R.N, Truffault, V, Kaptein, R.
登録日2005-07-08
公開日2005-09-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of bypass of forespore C, an intercompartmental signaling factor during sporulation in Bacillus.
J. Biol. Chem., 280, 2005
7S1P
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BU of 7s1p by Molmil
PRMT5/MEP50 crystal structure with sinefungin bound
分子名称: Methylosome protein 50, Protein arginine N-methyltransferase 5, SINEFUNGIN
著者Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A.
登録日2021-09-02
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
6MG1
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BU of 6mg1 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ...
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG3
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BU of 6mg3 by Molmil
V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG2
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BU of 6mg2 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.928 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
5M35
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BU of 5m35 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ...
著者Bier, D, Ottmann, C.
登録日2016-10-14
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
2BKA
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BU of 2bka by Molmil
CC3(TIP30)Crystal Structure
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者El Omari, K, Bird, L.E, Nichols, C.E, Ren, J, Stammers, D.K.
登録日2005-02-14
公開日2005-02-21
最終更新日2016-12-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Cc3 (Tip30): Implications for its Role as a Tumor Suppressor
J.Biol.Chem., 280, 2005
1IMH
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BU of 1imh by Molmil
TonEBP/DNA COMPLEX
分子名称: 5'-D(*AP*AP*CP*TP*AP*TP*TP*TP*TP*TP*CP*CP*AP*GP*C)-3', 5'-D(*TP*TP*GP*CP*TP*GP*GP*AP*AP*AP*AP*AP*TP*AP*G)-3', NUCLEAR FACTOR OF ACTIVATED T CELLS 5
著者Stroud, J.C, Lopez-Rodriguez, C, Rao, A, Chen, L.
登録日2001-05-10
公開日2002-02-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structure of a TonEBP-DNA complex reveals DNA encircled by a transcription factor.
Nat.Struct.Biol., 9, 2002
5C9Z
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BU of 5c9z by Molmil
Crystal structure of PRMT5:MEP50 with EPZ015866 and sinefungin
分子名称: 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide, GLYCEROL, Methylosome protein 50, ...
著者Boriack-Sjodin, P.A.
登録日2015-06-29
公開日2016-06-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal structure of PRMT5/MEP50 complex with sinefungin and 15866
To Be Published
7SI5
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BU of 7si5 by Molmil
CRYSTAL STRUCTURE OF EED WITH MRTX-1919
分子名称: (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
登録日2021-10-12
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献CRYSTAL STRUCTURE OF EED WITH MRTX-1919
TO BE PUBLISHED
7SI4
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BU of 7si4 by Molmil
CRYSTAL STRUCTURE OF EED WITH MRTX-2219
分子名称: (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, FORMIC ACID, Polycomb protein EED
著者Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
登録日2021-10-12
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CRYSTAL STRUCTURE OF EED WITH MRTX-2219
TO BE PUBLISHED
5MPE
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BU of 5mpe by Molmil
26S proteasome in presence of ATP (s2)
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
著者Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
登録日2016-12-16
公開日2017-03-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6FFS
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BU of 6ffs by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
分子名称: 3C Protease, SULFATE ION, ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
著者Wiesmann, C, Farady, C.
登録日2018-01-09
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
3VDD
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BU of 3vdd by Molmil
Structure of HRV2 capsid complexed with antiviral compound BTA798
分子名称: 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole, Protein VP1, Protein VP2, ...
著者Morton, C.J, Feil, S.C, Parker, M.W.
登録日2012-01-05
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An Orally Available 3-Ethoxybenzisoxazole Capsid Binder with Clinical Activity against Human Rhinovirus.
ACS Med Chem Lett, 3, 2012
1JFW
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BU of 1jfw by Molmil
HOMONUCLEAR AND HETERONUCLEAR 1H-13C NUCLEAR MAGNETIC RESONANCE ASSIGNMENT AND STRUCTURAL CHARACTERIZATION OF A HIV-1 TAT PROTEIN
分子名称: TAT PROTEIN
著者Peloponese, J.M, Gregoire, C, Opi, S, Esquieu, D.
登録日2001-06-22
公開日2001-08-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献1H-13C nuclear magnetic resonance assignment and structural characterization of HIV-1 Tat protein.
C.R.Acad.Sci.III, 323, 2000
7O7B
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BU of 7o7b by Molmil
Solution NMR Structure of the Neh1 Domain of Human Nuclear factor erythroid 2-related factor 2 (NRF2)
分子名称: Isoform 3 of Nuclear factor erythroid 2-related factor 2
著者Brueschweiler, S.
登録日2021-04-13
公開日2021-09-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A Step toward NRF2-DNA Interaction Inhibitors by Fragment-Based NMR Methods.
Chemmedchem, 16, 2021
7T3A
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BU of 7t3a by Molmil
GATOR1-RAG-RAGULATOR - Inhibitory Complex
分子名称: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ...
著者Egri, S.B, Shen, K.
登録日2021-12-07
公開日2022-04-06
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3B
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BU of 7t3b by Molmil
GATOR1-RAG-RAGULATOR - GAP Complex
分子名称: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
著者Egri, S.B, Shen, K.
登録日2021-12-07
公開日2022-04-06
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3C
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BU of 7t3c by Molmil
GATOR1-RAG-RAGULATOR - Dual Complex
分子名称: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
著者Egri, S.B, Shen, K.
登録日2021-12-07
公開日2022-04-06
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
2BUJ
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BU of 2buj by Molmil
Crystal structure of the human Serine-threonine Kinase 16 in complex with staurosporine
分子名称: CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE 16, STAUROSPORINE
著者Debreczeni, J.E, Eswaran, J, Bullock, A, Filippakopoulos, P, Kavanagh, K, Amos, A, Fedorov, O, Sobott, F, Ball, L.J, von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Knapp, S.
登録日2005-06-13
公開日2005-07-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Human Serine-Threonine Kinase 16 in Complex with Staurosporine
To be Published
2C8I
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BU of 2c8i by Molmil
Complex Of Echovirus Type 12 With Domains 1, 2, 3 and 4 Of Its Receptor Decay Accelerating Factor (Cd55) By Cryo Electron Microscopy At 16 A
分子名称: COMPLEMENT DECAY-ACCELERATING FACTOR, ECHOVIRUS 11 COAT PROTEIN VP1, ECHOVIRUS 11 COAT PROTEIN VP2, ...
著者Pettigrew, D.M, Williams, D.T, Kerrigan, D, Evans, D.J, Lea, S.M, Bhella, D.
登録日2005-12-05
公開日2006-01-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (14 Å)
主引用文献Structural and Functional Insights Into the Interaction of Echoviruses and Decay-Accelerating Factor.
J.Biol.Chem., 281, 2006

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