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4AZA
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BU of 4aza by Molmil
Improved eIF4E binding peptides by phage display guided design.
Descriptor: EIF4G1_D5S PEPTIDE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
Authors:Chew, W.Z, Quah, S.T, Verma, C.S, Liu, Y, Lane, D.P, Brown, C.J.
Deposit date:2012-06-25
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Improved Eif4E Binding Peptides by Phage Display Guided Design: Plasticity of Interacting Surfaces Yield Collective Effects.
Plos One, 7, 2012
3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2009-08-05
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009
8CYI
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BU of 8cyi by Molmil
Cryo-EM structures and computational analysis for enhanced potency in MTA-synergic inhibition of human protein arginine methyltransferase 5
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide, ...
Authors:Yadav, G.P, Wei, Z, Xiaozhi, Y, Chenglong, L, Jiang, Q.
Deposit date:2022-05-23
Release date:2023-04-12
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency.
Commun Biol, 5, 2022
6WL5
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BU of 6wl5 by Molmil
Crystal structure of EcmrR C-terminal domain
Descriptor: 1,2-ETHANEDIOL, CETYL-TRIMETHYL-AMMONIUM, CHLORIDE ION, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-04-18
Release date:2021-04-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
3LXF
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BU of 3lxf by Molmil
Crystal Structure of [2Fe-2S] Ferredoxin Arx from Novosphingobium aromaticivorans
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
Authors:Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-02-25
Release date:2010-06-23
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
2G2X
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BU of 2g2x by Molmil
X-Ray Crystal Structure Protein Q88CH6 from Pseudomonas putida. Northeast Structural Genomics Consortium Target PpR72.
Descriptor: SULFATE ION, hypothetical protein PP5205
Authors:Kuzin, A.P, Chen, Y, Abashidze, M, Acton, T, Conover, K, Janjua, H, Ma, L.-C, Ho, C.K, Cunningham, K, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-02-16
Release date:2006-03-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
2GBS
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BU of 2gbs by Molmil
NMR structure of Rpa0253 from Rhodopseudomonas palustris. Northeast structural genomics consortium target RpR3
Descriptor: Hypothetical protein Rpa0253
Authors:Ramelot, T.A, Cort, J.R, Conover, K, Chen, Y, Ma, L.C, Ciano, M, Xiao, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-03-11
Release date:2006-04-11
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
5XLL
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BU of 5xll by Molmil
Dimer form of M. tuberculosis PknI sensor domain
Descriptor: Serine/threonine-protein kinase PknI
Authors:Rao, Z, Yan, Q.
Deposit date:2017-05-10
Release date:2018-05-16
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain.
Structure, 25, 2017
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
4RVS
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BU of 4rvs by Molmil
The native structure of mycobacterial quinone oxidoreductase Rv154c.
Descriptor: Probable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein)
Authors:Zhou, W.H, Zheng, Q.Q, Song, Y.L, Zhang, W, Shaw, N, Rao, Z.
Deposit date:2014-11-27
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8464 Å)
Cite:Structural views of quinone oxidoreductase from Mycobacterium tuberculosis reveal large conformational changes induced by the co-factor.
Febs J., 282, 2015
4RVU
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BU of 4rvu by Molmil
The native structure of mycobacterial Rv1454c complexed with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein)
Authors:Zhou, W.H, Zheng, Q.Q, Song, Y.L, Zhang, W, Shaw, N, Rao, Z.
Deposit date:2014-11-27
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7988 Å)
Cite:Structural views of quinone oxidoreductase from Mycobacterium tuberculosis reveal large conformational changes induced by the co-factor.
Febs J., 282, 2015
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6EIV
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BU of 6eiv by Molmil
DYRK1A in complex with JWD-065
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
3UB4
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BU of 3ub4 by Molmil
S180L variant of TIR domain of Mal/TIRAP
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Shen, Y, Lin, Z.
Deposit date:2011-10-23
Release date:2012-05-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insights into TIR Domain Specificity of the Bridging Adaptor Mal in TLR4 Signaling
Plos One, 7, 2012
3UB3
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BU of 3ub3 by Molmil
D96N variant of TIR domain of Mal/TIRAP
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Shen, Y, Lin, Z.
Deposit date:2011-10-23
Release date:2012-05-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Insights into TIR Domain Specificity of the Bridging Adaptor Mal in TLR4 Signaling
Plos One, 7, 2012
5WXH
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BU of 5wxh by Molmil
Crystal structure of TAF3 PHD finger bound to H3K4me3
Descriptor: Histone H3K4me3, Transcription initiation factor TFIID subunit 3, ZINC ION
Authors:Zhao, S, Huang, J, Li, H.
Deposit date:2017-01-07
Release date:2017-08-16
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WXG
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BU of 5wxg by Molmil
Structure of TAF PHD finger domain binds to H3(1-15)K4ac
Descriptor: Histone H3K4ac, MAGNESIUM ION, Transcription initiation factor TFIID subunit 3, ...
Authors:Zhao, S, Li, H.
Deposit date:2017-01-07
Release date:2017-08-16
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6XLA
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BU of 6xla by Molmil
Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-3nt
Descriptor: MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, synthetic non-template strand DNA (54-MER), ...
Authors:Yang, Y, Liu, C, Shi, W, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XH7
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BU of 6xh7 by Molmil
CueR-TAC without RNA
Descriptor: COPPER (II) ION, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-06-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of copper-efflux-regulator-dependent transcription activation.
Iscience, 24, 2021
6XL9
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BU of 6xl9 by Molmil
Cryo-EM structure of EcmrR-RNAP-promoter initial transcribing complex with 3-nt RNA transcript (EcmrR-RPitc-3nt)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Yang, Y, Liu, C, Shi, W, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XH8
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BU of 6xh8 by Molmil
CueR-transcription activation complex with RNA transcript
Descriptor: COPPER (II) ION, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-06-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of copper-efflux-regulator-dependent transcription activation.
Iscience, 24, 2021
6XLK
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BU of 6xlk by Molmil
Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-4nt
Descriptor: CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XL6
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BU of 6xl6 by Molmil
Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPo
Descriptor: CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XLN
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BU of 6xln by Molmil
Cryo-EM structure of E. coli RNAP-DNA elongation complex 2 (RDe2) in EcmrR-dependent transcription
Descriptor: 9-nt RNA transcript, CHAPSO, DNA-directed RNA polymerase subunit alpha, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021

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数据于2024-06-12公开中

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