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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
Descriptor: Retinoblastoma-associated protein, Transcription factor Dp-1, Transcription factor E2F1
Authors:Rubin, S.M, Gall, A.L, Zheng, N, Pavletich, N.P.
Deposit date:2005-09-10
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L.
Deposit date:2015-10-13
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite: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
Descriptor: (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, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-13
Release date:2021-01-27
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: (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, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-15
Release date:2021-01-27
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: BYPASS OF FORESPORE C
Authors: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.
Deposit date:2005-07-08
Release date:2005-09-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5, SINEFUNGIN
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A.
Deposit date:2021-09-02
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ...
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.928 Å)
Cite: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
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:El Omari, K, Bird, L.E, Nichols, C.E, Ren, J, Stammers, D.K.
Deposit date:2005-02-14
Release date:2005-02-21
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 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
Authors:Stroud, J.C, Lopez-Rodriguez, C, Rao, A, Chen, L.
Deposit date:2001-05-10
Release date:2002-02-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.86 Å)
Cite: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
Descriptor: 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide, GLYCEROL, Methylosome protein 50, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-06-29
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite: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
Descriptor: (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, ...
Authors:Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
Deposit date:2021-10-12
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: (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
Authors:Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
Deposit date:2021-10-12
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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)
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
Authors:Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
Deposit date:2016-12-16
Release date:2017-03-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite: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
Descriptor: 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
Authors:Wiesmann, C, Farady, C.
Deposit date:2018-01-09
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole, Protein VP1, Protein VP2, ...
Authors:Morton, C.J, Feil, S.C, Parker, M.W.
Deposit date:2012-01-05
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: TAT PROTEIN
Authors:Peloponese, J.M, Gregoire, C, Opi, S, Esquieu, D.
Deposit date:2001-06-22
Release date:2001-08-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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)
Descriptor: Isoform 3 of Nuclear factor erythroid 2-related factor 2
Authors:Brueschweiler, S.
Deposit date:2021-04-13
Release date:2021-09-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite: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
Descriptor: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE 16, STAUROSPORINE
Authors: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.
Deposit date:2005-06-13
Release date:2005-07-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: COMPLEMENT DECAY-ACCELERATING FACTOR, ECHOVIRUS 11 COAT PROTEIN VP1, ECHOVIRUS 11 COAT PROTEIN VP2, ...
Authors:Pettigrew, D.M, Williams, D.T, Kerrigan, D, Evans, D.J, Lea, S.M, Bhella, D.
Deposit date:2005-12-05
Release date:2006-01-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (14 Å)
Cite:Structural and Functional Insights Into the Interaction of Echoviruses and Decay-Accelerating Factor.
J.Biol.Chem., 281, 2006

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数据于2024-07-31公开中

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