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8PAF
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BU of 8paf by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine
Descriptor: 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Dillenburg, M, Wagner, C.R.
Deposit date:2023-06-07
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel inhibitors for hHINT1 protein
To Be Published
8PA6
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BU of 8pa6 by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine
Descriptor: 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Dillenburg, M, Wagner, C.R.
Deposit date:2023-06-07
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Novel inhibitors for hHINT1 protein
To Be Published
6Z17
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BU of 6z17 by Molmil
PqsR (MvfR) in complex with antagonist 6
Descriptor: 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR
Authors:Richardson, W.K, Emsley, J.
Deposit date:2020-05-12
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
7V8N
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BU of 7v8n by Molmil
Crystal structure of the PWWP-ARID domain of ARID4A
Descriptor: AT-rich interactive domain-containing protein 4A
Authors:Wei, X, Lin, L, Lu, Q.
Deposit date:2021-08-23
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the PWWP-ARID of ARID4A
To Be Published
5WAY
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BU of 5way by Molmil
MgaSpn protein, Mga regulator from Streptococcus pneumoniae
Descriptor: GLYCEROL, NICKEL (II) ION, POTASSIUM ION, ...
Authors:Osipiuk, J.
Deposit date:2017-06-27
Release date:2017-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:MgaSpn protein, Mga regulator from Streptococcus pneumoniae
To Be Published
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
7VEH
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BU of 7veh by Molmil
Type I-F Anti-CRISPR protein AcrIF13
Descriptor: AcrIF13
Authors:Gao, T, Feng, Y.
Deposit date:2021-09-08
Release date:2022-07-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
6YVT
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BU of 6yvt by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253
Descriptor: 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ...
Authors:Chowdhury, R, Demetriades, M, Schofield, C.J.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors.
Angew.Chem.Int.Ed.Engl., 51, 2012
6Z5L
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BU of 6z5l by Molmil
Helical reconstruction of influenza A virus M1 in complex with nucleic acid.
Descriptor: Matrix protein 1
Authors:Xiong, X, Qu, K, Briggs, J.A.G.
Deposit date:2020-05-26
Release date:2020-10-14
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The native structure of the assembled matrix protein 1 of influenza A virus.
Nature, 587, 2020
8P0W
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BU of 8p0w by Molmil
Structure of the human Commander complex COMMD ring
Descriptor: COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ...
Authors:Kumpula, E.P, Laulumaa, S, Huiskonen, J.T.
Deposit date:2023-05-11
Release date:2024-03-20
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and interactions of the endogenous human Commander complex.
Nat.Struct.Mol.Biol., 31, 2024
5FJ6
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BU of 5fj6 by Molmil
Structure of the P2 polymerase inside in vitro assembled bacteriophage phi6 polymerase complex
Descriptor: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Ilca, S, Kotecha, A, Sun, X, Poranen, M.P, Stuart, D.I, Huiskonen, J.T.
Deposit date:2015-10-06
Release date:2015-11-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Localized Reconstruction of Subunits from Electron Cryomicroscopy Images of Macromolecular Complexes.
Nat.Commun., 6, 2015
6TWR
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BU of 6twr by Molmil
Structure of a constitutively active CAT-PRD1 mutant of the antiterminator LicT protein.
Descriptor: Beta-glucoside bgl operon antiterminator BglG family
Authors:Demene, H, Declerck, N, Yinshan, Y.
Deposit date:2020-01-13
Release date:2021-04-14
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Resolving the activation mechanism of the D99N antiterminator LicT protein.
J.Struct.Biol., 213, 2021
5WLC
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BU of 5wlc by Molmil
The complete structure of the small subunit processome
Descriptor: 18S pre-rRNA, 5' ETS, Bms1, ...
Authors:Barandun, J, Chaker-Margot, M, Hunziker, M, Klinge, S.
Deposit date:2017-07-26
Release date:2017-09-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The complete structure of the small-subunit processome.
Nat. Struct. Mol. Biol., 24, 2017
5V37
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BU of 5v37 by Molmil
Crystal structure of SMYD3 with SAM and EPZ028862
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2017-03-06
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
Plos One, 13, 2018
5V3R
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BU of 5v3r by Molmil
CHMP4C in complex with ALIX BRO1
Descriptor: Charged multivesicular body protein 4c, Programmed cell death 6-interacting protein
Authors:Wenzel, D.M, Alam, S.L, Sundquist, W.I.
Deposit date:2017-03-08
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:A cancer-associated polymorphism in ESCRT-III disrupts the abscission checkpoint and promotes genome instability.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6V8K
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BU of 6v8k by Molmil
Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
Descriptor: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
8I0N
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BU of 8i0n by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine)
Descriptor: Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-11
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
4ZZD
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BU of 4zzd by Molmil
CRYSTAL STRUCTURE OF MULTIDRUG RESISTANCE REGULATOR LMRR BOUND TO RIBOFLAVIN
Descriptor: RIBOFLAVIN, TRANSCRIPTIONAL REGULATOR, PADR-LIKE FAMILY
Authors:Madoori, P.K, Thunnissen, A.-M.W.H.
Deposit date:2015-05-22
Release date:2015-08-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Binding of the Lactococcal Drug Dependent Transcriptional Regulator LmrR to Its Ligands and Responsive Promoter Regions.
Plos One, 10, 2015
6V2W
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BU of 6v2w by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
5TBK
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BU of 5tbk by Molmil
Crystal structure of human importin a3 bound to RCC1
Descriptor: Importin subunit alpha-3, Regulator of chromosome condensation
Authors:Sankhala, R.S, Lokareddy, R.K, Pumroy, R.A, Cingolani, G.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Three-dimensional context rather than NLS amino acid sequence determines importin alpha subtype specificity for RCC1.
Nat Commun, 8, 2017
5HSQ
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BU of 5hsq by Molmil
The surface engineered photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form, chromophore modelled with an endocyclic double bond in pyrrole ring A.
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome protein, CALCIUM ION, ...
Authors:Nagano, S, Scheerer, P, Zubow, K, Lamparter, T, Krauss, N.
Deposit date:2016-01-26
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structures of the N-terminal Photosensory Core Module of Agrobacterium Phytochrome Agp1 as Parallel and Anti-parallel Dimers.
J.Biol.Chem., 291, 2016
5HZ8
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BU of 5hz8 by Molmil
FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Descriptor: 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
4ZT8
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BU of 4zt8 by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a pyrimidine base, cytosine at 1.98 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, GLYCEROL, ...
Authors:Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-05-14
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
8J8Q
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BU of 8j8q by Molmil
Structure of the four-component Paf1 complex from Saccharomyces eubayanus
Descriptor: CDC73-like protein, CTR9-like protein, PAF1-like protein, ...
Authors:Wang, Z, Qin, Y, Zhou, Y, Cao, Y.
Deposit date:2023-05-02
Release date:2023-05-24
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural Basis of the Transcriptional Elongation Factor Paf1 Core Complex from Saccharomyces eubayanus .
Int J Mol Sci, 24, 2023
8OX4
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BU of 8ox4 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E1-ATP conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023

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数据于2024-09-11公开中

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