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8E6W
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BU of 8e6w by Molmil
Escherichia coli Rho-dependent transcription pre-termination complex containing 18 nt long RNA spacer, lambda-tR1 rut RNA, Mg-ADP-BeF3, and NusG; Rho part
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2022-08-23
Release date:2022-09-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.27 Å)
Cite:Structural basis of Rho-dependent transcription termination.
Nature, 614, 2023
8E5P
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BU of 8e5p by Molmil
Escherichia coli Rho-dependent transcription pre-termination complex containing 24 nt long RNA spacer, Mg-ADP-BeF3, and NusG; Rho hexamer part
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Molodtsov, V, Wang, C.
Deposit date:2022-08-22
Release date:2022-09-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of Rho-dependent transcription termination.
Nature, 614, 2023
6UKA
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BU of 6uka by Molmil
Crystal structure of RHOG and ELMO complex
Descriptor: Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Jo, C.H, Killoran, R.C, Smith, M.J.
Deposit date:2019-10-04
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
6UN0
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BU of 6un0 by Molmil
Crystal structure of photoactive yellow protein (PYP); F96(4-IF) construct with 3-Br-p-coumaric acid chromophore
Descriptor: (2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein
Authors:Lin, C.-Y, Romei, M.G, Boxer, S.G.
Deposit date:2019-10-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms.
J Photochem Photobiol A Chem, 401, 2020
4QA3
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BU of 4qa3 by Molmil
Crystal structure of T311M HDAC8 in complex with Trichostatin A (TSA)
Descriptor: GLYCEROL, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2014-05-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.876 Å)
Cite:Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
6UNF
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BU of 6unf by Molmil
Pseudomonas fluorescens isocyanide hydratase post-catalysis at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-10-11
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6CEW
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BU of 6cew by Molmil
Segment AMMAAA from the low complexity domain of TDP-43, residues 321-326
Descriptor: AMMAAA
Authors:Guenther, E.L, Cao, Q, Lu, J, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-02-12
Release date:2018-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
6CF4
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BU of 6cf4 by Molmil
Segment NFGTFS, with familial mutation A315T and phosphorylated threonine, from the low complexity domain of TDP-43, residues 312-317
Descriptor: NFGTFS
Authors:Guenther, E.L, Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-02-13
Release date:2018-05-23
Last modified:2021-06-30
Method:ELECTRON CRYSTALLOGRAPHY (0.75 Å)
Cite:Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
4QA0
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BU of 4qa0 by Molmil
Crystal structure of C153F HDAC8 in complex with SAHA
Descriptor: GLYCEROL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ...
Authors:Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2014-05-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
2VV7
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BU of 2vv7 by Molmil
BJFIXLH IN UNLIGANDED FERROUS FORM
Descriptor: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL, ...
Authors:Ayers, R.A, Moffat, K.
Deposit date:2008-06-04
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains.
Biochemistry, 47, 2008
2Y48
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BU of 2y48 by Molmil
Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC DEMETHYLASE 1A, REST COREPRESSOR 1, ...
Authors:Baron, R, Binda, C, Tortorici, M, McCammon, J.A, Mattevi, A.
Deposit date:2011-01-05
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase Lsd1-Corest Complex.
Structure, 19, 2011
6ST3
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BU of 6st3 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
Descriptor: 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ...
Authors:Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J.
Deposit date:2019-09-10
Release date:2019-12-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
Descriptor: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
Authors:Malapaka, V.R, Xu, H.E.
Deposit date:2011-10-19
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.522 Å)
Cite:Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors.
J.Biol.Chem., 287, 2012
6PPF
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BU of 6ppf by Molmil
Bacterial 45SRbgA ribosomal particle class B
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Ortega, J, Seffouh, A, Jain, N, Jahagirdar, D, Basu, K, Razi, A, Ni, X, Guarne, A, Britton, R.A.
Deposit date:2019-07-06
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural consequences of the interaction of RbgA with a 50S ribosomal subunit assembly intermediate.
Nucleic Acids Res., 47, 2019
6TW1
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BU of 6tw1 by Molmil
Bat Influenza A polymerase termination complex with pyrophosphate using 44-mer vRNA template with mutated oligo(U) sequence
Descriptor: 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2020-01-11
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 2020
6U2G
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BU of 6u2g by Molmil
BRAF-MEK complex with AMP-PCP bound to BRAF
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J.
Deposit date:2019-08-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
1LAW
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BU of 1law by Molmil
STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY CAVITY-FILLING MUTATIONS WITHIN A HYDROPHOBIC CORE
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Nakamura, H, Morikawa, K, Kanaya, S.
Deposit date:1993-05-10
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilization of Escherichia coli ribonuclease HI by cavity-filling mutations within a hydrophobic core.
Biochemistry, 32, 1993
3R2A
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BU of 3r2a by Molmil
Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein
Descriptor: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for retinoic x receptor repression on the tetramer.
J.Biol.Chem., 286, 2011
2XWU
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BU of 2xwu by Molmil
CRYSTAL STRUCTURE OF IMPORTIN 13 - UBC9 COMPLEX
Descriptor: IMPORTIN13, SUMO-CONJUGATING ENZYME UBC9
Authors:Gruenwald, M, Bono, F.
Deposit date:2010-11-05
Release date:2010-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Importin13-Ubc9 Complex: Nuclear Import and Release of a Key Regulator of Sumoylation.
Embo J., 30, 2011
2Y5K
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BU of 2y5k by Molmil
Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
Descriptor: 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA, FRUCTOSE-1,6-BISPHOSPHATASE 1
Authors:Ruf, A, Hebeisen, P, Haap, W, Kuhn, B, Mohr, P, Wessel, H.P, Zutter, U, Kirchner, S, Benz, J, Joseph, C, Alvarez-Sanchez, R, Gubler, M, Schott, B, Benardeau, A, Tozzo, E, Kitas, E.
Deposit date:2011-01-14
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
6RVF
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BU of 6rvf by Molmil
Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-phenyl
Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2019-05-31
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
2V5W
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BU of 2v5w by Molmil
Crystal structure of HDAC8-substrate complex
Descriptor: GLYCYL-GLYCYL-GLYCINE, HISTONE DEACETYLASE 8, PEPTIDIC SUBSTRATE, ...
Authors:Di Marco, S, Vannini, A, Volpari, C.
Deposit date:2007-07-10
Release date:2007-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex
Embo Rep., 8, 2007
8ISK
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BU of 8isk by Molmil
Pr conformer of Zea mays phytochrome A1 - ZmphyA1-Pr
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome
Authors:Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J.
Deposit date:2023-03-20
Release date:2023-08-09
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into plant phytochrome A as a highly sensitized photoreceptor.
Cell Res., 33, 2023
8ISJ
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BU of 8isj by Molmil
Pr conformer of Arabidopsis thaliana phytochrome A - AtphyA-Pr
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A
Authors:Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J.
Deposit date:2023-03-20
Release date:2023-08-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into plant phytochrome A as a highly sensitized photoreceptor.
Cell Res., 33, 2023
6V90
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BU of 6v90 by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
Descriptor: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-12
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020

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数据于2024-10-16公开中

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