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7LS2
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BU of 7ls2 by Molmil
80S ribosome from mouse bound to eEF2 (Class I)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loerch, S, Smith, P.R, Kunder, N, Stanowick, A.D, Lou, T.-F, Campbell, Z.T.
Deposit date:2021-02-17
Release date:2021-11-03
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Functionally distinct roles for eEF2K in the control of ribosome availability and p-body abundance.
Nat Commun, 12, 2021
6QZP
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BU of 6qzp by Molmil
High-resolution cryo-EM structure of the human 80S ribosome
Descriptor: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 18S rRNA (1740-MER), 28S rRNA (3773-MER), ...
Authors:Natchiar, S.K, Myasnikov, A.G, Kratzat, H, Hazemann, I, Klaholz, B.P.
Deposit date:2019-03-12
Release date:2019-04-24
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Visualization of chemical modifications in the human 80S ribosome structure.
Nature, 551, 2017
3DM3
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BU of 3dm3 by Molmil
Crystal structure of a domain of a Replication factor A protein, from Methanocaldococcus jannaschii. NorthEast Structural Genomics target MjR118E
Descriptor: Replication factor A, SODIUM ION
Authors:Seetharaman, J, Su, M, Maglaqui, M, Janjua, H, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-30
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a domain of a Replication factor A protein, from Methanocaldococcus jannaschii. NorthEast Structural Genomics target MjR118E
To be Published
6SL6
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BU of 6sl6 by Molmil
p53 charged core
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION
Authors:Gallardo, R, Langenberg, T, Schymkowitz, J, Rousseau, F, Ulens, C.
Deposit date:2019-08-18
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Thermodynamic and Evolutionary Coupling between the Native and Amyloid State of Globular Proteins.
Cell Rep, 31, 2020
6GGD
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BU of 6ggd by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9324
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.40000892 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGB
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BU of 6ggb by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9318
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGA
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BU of 6gga by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9284
Descriptor: (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium, Cellular tumor antigen p53, ZINC ION
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55000126 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGE
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BU of 6gge by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9327
Descriptor: Cellular tumor antigen p53, ZINC ION, [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25000513 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
5ED3
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BU of 5ed3 by Molmil
crystal structure of human Hint1 complexing with AP5A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2015-10-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.309 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
5EDB
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BU of 5edb by Molmil
human fatty acid binding protein 4 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid at 1.18A
Descriptor: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Rudolph, M.G, Ehler, A.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
2VV6
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BU of 2vv6 by Molmil
BJFIXLH IN FERRIC 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 (1.5 Å)
Cite:Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains.
Biochemistry, 47, 2008
5EP0
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BU of 5ep0 by Molmil
Quorum-Sensing Signal Integrator LuxO - Receiver+Catalytic Domains
Descriptor: 1,2-ETHANEDIOL, Putative repressor protein luxO, SULFATE ION
Authors:Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
Deposit date:2015-11-11
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
5EI3
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BU of 5ei3 by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
Descriptor: Eukaryotic translation initiation factor 4 gamma, Eukaryotic translation initiation factor 4E, SULFATE ION, ...
Authors:Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2015-10-29
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
2VV8
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BU of 2vv8 by Molmil
Co-bound structure of bjFixLH
Descriptor: CARBON MONOXIDE, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
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 (1.61 Å)
Cite:Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains.
Biochemistry, 47, 2008
5EIC
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BU of 5eic by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with AYC
Descriptor: 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
Authors:Dong, J, Caflisch, A.
Deposit date:2015-10-29
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
4LY7
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BU of 4ly7 by Molmil
Ancestral RNase H
Descriptor: Ribonuclease H, SULFATE ION
Authors:Hart, K.M, Harms, M.J, Schmidt, B.H, Elya, C, Thornton, J.W, Marqusee, S.
Deposit date:2013-07-30
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Thermodynamic system drift in protein evolution.
Plos Biol., 12, 2014
5EKV
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BU of 5ekv by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
Descriptor: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1
Authors:Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2015-11-04
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
5EPB
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BU of 5epb by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
Authors:Dong, J, Caflisch, A.
Deposit date:2015-11-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
To Be Published
5W0I
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BU of 5w0i by Molmil
CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
2W1R
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BU of 2w1r by Molmil
Crystal Structure of the C-terminal Domain of B. subtilis SpoVT
Descriptor: STAGE V SPORULATION PROTEIN T
Authors:Asen, I, Djuranovic, S, Lupas, A.N, Zeth, K.
Deposit date:2008-10-20
Release date:2008-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Spovt, the Final Modulator of Gene Expression During Spore Development in Bacillus Subtilis
J.Mol.Biol., 386, 2009
3KJX
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BU of 3kjx by Molmil
Crystal structure of a transcriptional regulator, Lacl family protein from Silicibacter pomeroyi
Descriptor: Transcriptional regulator, LacI family
Authors:Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-11-03
Release date:2009-11-17
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of a transcriptional regulator, Lacl family protein from Silicibacter pomeroyi
To be Published
5W41
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BU of 5w41 by Molmil
Zika MR766 NLS in complex with Importin alpha subunit-1
Descriptor: Importin subunit alpha-1, ZIKA MR766 NLS
Authors:Jeffress, S, Smith, K.M, Forwood, J.K.
Deposit date:2017-06-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Zika virus NS5 forms supramolecular nuclear bodies that sequester importin alpha and modulate the host immune and pro-inflammatory response in neuronal cells.
ACS Infect Dis, 2019
5EIK
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BU of 5eik by Molmil
Structure of a Trimeric Intracellular Cation channel from C. elegans in the absence of Ca2+
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Hu, M.H, Yang, H.T, Liu, Z.F.
Deposit date:2015-10-30
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pore architecture of TRIC channels and insights into their gating mechanism.
Nature, 538, 2016
2WA4
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BU of 2wa4 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide
Descriptor: FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ...
Authors:Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
5EP2
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BU of 5ep2 by Molmil
Quorum-Sensing Signal Integrator LuxO - Catalytic Domain in Complex with AzaU Inhibitor
Descriptor: 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate, ACETATE ION, Putative repressor protein luxO
Authors:Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
Deposit date:2015-11-11
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.421 Å)
Cite:Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016

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