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4RWI
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BU of 4rwi by Molmil
Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M), apo
Descriptor: Fibroblast growth factor receptor 1
Authors:Sohl, C.D, Anderson, K.S.
Deposit date:2014-12-04
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
4GZZ
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BU of 4gzz by Molmil
Crystal structures of bacterial RNA Polymerase paused elongation complexes
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Weixlbaumer, A, Leon, K, Landick, R, Darst, S.A.
Deposit date:2012-09-06
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.2927 Å)
Cite:Structural basis of transcriptional pausing in bacteria.
Cell(Cambridge,Mass.), 152, 2013
8T3Q
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BU of 8t3q by Molmil
Cryo-EM structure of the DHA bound FFA4-Gq complex
Descriptor: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhang, X, Tikhonova, I, Milligan, G, Zhang, C.
Deposit date:2023-06-07
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis for the ligand recognition and signaling of free fatty acid receptors.
Sci Adv, 10, 2024
5Z6F
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BU of 5z6f by Molmil
High-pressure Crystal Structure Analysis of DHFR(0.1 MPa)
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Watanabe, N, Nagae, T, Yamada, H.
Deposit date:2018-01-22
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
5ZGG
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BU of 5zgg by Molmil
NMR structure of p75NTR transmembrane domain in complex with NSC49652
Descriptor: (2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one, Tumor necrosis factor receptor superfamily member 16
Authors:Lin, Z, Ibanez, C.
Deposit date:2018-03-08
Release date:2019-03-13
Last modified:2019-09-25
Method:SOLUTION NMR
Cite:A Small Molecule Targeting the Transmembrane Domain of Death Receptor p75NTRInduces Melanoma Cell Death and Reduces Tumor Growth.
Cell Chem Biol, 25, 2018
7Z2H
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BU of 7z2h by Molmil
Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine
Descriptor: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H, ...
Authors:Singh, A.K, Das, K.
Deposit date:2022-02-27
Release date:2022-07-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
5D6K
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BU of 5d6k by Molmil
PepT - CIM
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Di-or tripeptide:H+ symporter, ...
Authors:Ma, P, Caffrey, M.
Deposit date:2015-08-12
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
7Z2G
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BU of 7z2g by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine
Descriptor: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H
Authors:Singh, A.K, Das, K.
Deposit date:2022-02-26
Release date:2022-07-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z24
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BU of 7z24 by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (38-mer), Reverse transcriptase/ribonuclease H
Authors:Singh, A.K, Das, K.
Deposit date:2022-02-25
Release date:2022-07-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
3U4V
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BU of 3u4v by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-A
Descriptor: Telomerase-associated protein 82
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-10
Release date:2011-12-28
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U4Z
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BU of 3u4z by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-B
Descriptor: Telomerase-associated protein 82
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-10
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
4HB4
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BU of 4hb4 by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(537DLTVK541/GLCEQ)-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
5ZAZ
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BU of 5zaz by Molmil
Solution structure of integrin b2 monomer tranmembrane domain in bicelle
Descriptor: Integrin beta-2
Authors:Li, H, Guo, J, Xu, C.
Deposit date:2018-02-09
Release date:2018-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intramembrane ionic protein-lipid interaction regulates integrin structure and function.
PLoS Biol., 16, 2018
7ZZV
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BU of 7zzv by Molmil
Prostatic acid phosphatase (PAP) fragment (85-120)
Descriptor: Prostatic acid phosphatase
Authors:Blokhin, D.S, Yulmetov, A.R, Kusova, A.M, Skvortsova, P.V.
Deposit date:2022-05-26
Release date:2022-06-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure of amyloidogenic PAP(85-120) peptide by high-resolution NMR spectroscopy
Journal of Molecular Structure, 1253, 2022
5Z3V
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BU of 5z3v by Molmil
Structure of Snf2-nucleosome complex at shl-2 in ADP BeFx state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
Authors:Li, M, Xia, X, Liu, X, Li, X, Chen, Z.
Deposit date:2018-01-08
Release date:2019-05-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.22 Å)
Cite:Mechanism of DNA translocation underlying chromatin remodelling by Snf2.
Nature, 567, 2019
5Z2C
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BU of 5z2c by Molmil
Crystal structure of ALPK-1 N-terminal domain in complex with ADP-heptose
Descriptor: Alpha-protein kinase 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Ding, J, She, Y, Shao, F.
Deposit date:2018-01-02
Release date:2018-08-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose.
Nature, 561, 2018
5Z3O
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BU of 5z3o by Molmil
Structure of Snf2-nucleosome complex in ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ...
Authors:Li, M, Xia, X, Liu, X, Li, X, Chen, Z.
Deposit date:2018-01-08
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Mechanism of DNA translocation underlying chromatin remodelling by Snf2.
Nature, 567, 2019
4U1D
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BU of 4u1d by Molmil
Structure of the PCI domain of translation initiation factor eIF3a
Descriptor: Eukaryotic translation initiation factor 3 subunit A
Authors:Erzberger, J.P, Schaefer, T, Ban, N.
Deposit date:2014-07-15
Release date:2014-09-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell, 158, 2014
4TWP
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BU of 4twp by Molmil
The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib
Descriptor: AXITINIB, NICKEL (II) ION, SODIUM ION, ...
Authors:Johnson, E, McTigue, M, Cronin, C.N.
Deposit date:2014-07-01
Release date:2015-02-11
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Nature, 519, 2015
4F49
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BU of 4f49 by Molmil
2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O.
Deposit date:2012-05-10
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
4TUY
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BU of 4tuy by Molmil
Tubulin-Rhizoxin complex
Descriptor: (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O.
Deposit date:2014-06-25
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
7ZZX
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BU of 7zzx by Molmil
Crystal structure of Candida auris DHFR in apo form
Descriptor: Dihydrofolate reductase
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2022-05-26
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Descriptor: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-07-07
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5D6L
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BU of 5d6l by Molmil
beta2AR-T4L - CIM
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Ma, P, Caffrey, M.
Deposit date:2015-08-12
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
8PK7
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BU of 8pk7 by Molmil
Helical reconstruction of CHIKV nsP3 helical scaffolds
Descriptor: Non-structural protein 3, ZINC ION
Authors:Reguera, J, Hons, M, Zimberger, C, Ptchelkine, D, Jones, R, Desfosses, A.
Deposit date:2023-06-25
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:The alphavirus nsP3 protein forms helical tubular scaffolds important for viral replication and particle assembly
To Be Published

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數據於2024-10-09公開中

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