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2VM6
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BU of 2vm6 by Molmil
Human Bcl2-A1 in complex with Bim-BH3 peptide
Descriptor: BCL-2-LIKE PROTEIN 11, BCL-2-RELATED PROTEIN A1, SULFATE ION
Authors:Herman, M.D, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2008-01-23
Release date:2008-02-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Completing the Family Portrait of the Anti- Apoptotic Bcl-2 Proteins: Crystal Structure of Human Bfl-1 in Complex with Bim.
FEBS Lett., 582, 2008
1OW7
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BU of 1ow7 by Molmil
Paxillin LD4 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase
Descriptor: Focal adhesion kinase 1, Paxillin
Authors:Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T.
Deposit date:2003-03-28
Release date:2003-10-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Recognition of Paxillin LD Motifs by the Focal Adhesion Targeting Domain
Structure, 11, 2003
7R7H
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BU of 7r7h by Molmil
Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
Deposit date:2021-06-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors.
Rsc Med Chem, 12, 2021
2C2V
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BU of 2c2v by Molmil
Crystal structure of the CHIP-UBC13-UEV1a complex
Descriptor: STIP1 homology and U box-containing protein 1, Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 1
Authors:Zhang, M, Roe, S.M, Pearl, L.H.
Deposit date:2005-09-30
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Chaperoned ubiquitylation--crystal structures of the CHIP U box E3 ubiquitin ligase and a CHIP-Ubc13-Uev1a complex.
Mol. Cell, 20, 2005
6ZQG
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BU of 6zqg by Molmil
Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state Dis-C
Descriptor: 18S rRNA, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ...
Authors:Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R.
Deposit date:2020-07-09
Release date:2020-09-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
2VFJ
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BU of 2vfj by Molmil
Structure of the A20 Ovarian Tumour (OTU) domain
Descriptor: MAGNESIUM ION, SULFATE ION, TUMOR NECROSIS FACTOR
Authors:Komander, D, Barford, D.
Deposit date:2007-11-04
Release date:2007-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the A20 Otu Domain and Mechanistic Insights Into Deubiquitination
Biochem.J., 409, 2008
6ZQS
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BU of 6zqs by Molmil
Crystal structure of double-phosphorylated p38alpha with ATF2(83-102)
Descriptor: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Cyclic AMP-dependent transcription factor ATF-2, Mitogen-activated protein kinase 14
Authors:Kirsch, K, Sok, P, Poti, A.L, Remenyi, A.
Deposit date:2020-07-10
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38.
Nat Commun, 11, 2020
6L4O
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BU of 6l4o by Molmil
Crystal structure of API5-FGF2 complex
Descriptor: Apoptosis inhibitor 5, Fibroblast growth factor 2
Authors:Lee, B.I, Bong, S.M.
Deposit date:2019-10-18
Release date:2020-04-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Regulation of mRNA export through API5 and nuclear FGF2 interaction.
Nucleic Acids Res., 48, 2020
5O8U
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BU of 5o8u by Molmil
Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C
Descriptor: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
3SRD
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BU of 3srd by Molmil
Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate.
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-07-07
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Allosetric regulation of M2 pyruvate kinase.
To be Published
4ZK5
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BU of 4zk5 by Molmil
MAP4K4 in complex with inhibitor GNE-495
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2015-04-29
Release date:2015-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Acs Med.Chem.Lett., 6, 2015
4JA7
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BU of 4ja7 by Molmil
Rat PP5 co-crystallized with P5SA-2
Descriptor: MAGNESIUM ION, Serine/threonine-protein phosphatase 5
Authors:Haslbeck, V, Helmuth, M, Alte, F, Popowicz, G, Schmidt, W, Weiwad, M, Fischer, G, Gemmecker, G, Sattler, M, Striggow, F, Groll, M, Richter, K.
Deposit date:2013-02-18
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective activators of protein phosphatase 5 target the auto-inhibitory mechanism.
Biosci.Rep., 35, 2015
2V71
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BU of 2v71 by Molmil
Coiled-coil region of NudEL
Descriptor: NUCLEAR DISTRIBUTION PROTEIN NUDE-LIKE 1
Authors:Derewenda, U, Cooper, D.R, Kim, M.H, Derewenda, Z.S.
Deposit date:2007-07-25
Release date:2007-11-27
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Structure of the Coiled-Coil Domain of Ndel1 and the Basis of its Interaction with Lis1, the Causal Protein of Miller-Dieker Lissencephaly.
Structure, 15, 2007
6LE1
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BU of 6le1 by Molmil
Structure of RRM2 domain of DND1 protein
Descriptor: Dead end protein homolog 1, GLYCEROL, SULFATE ION
Authors:Kumari, P, Bhavesh, N.S.
Deposit date:2019-11-23
Release date:2020-12-02
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human DND1-RRM2 forms a non-canonical domain swapped dimer.
Protein Sci., 30, 2021
6RKO
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BU of 6rko by Molmil
Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ...
Authors:Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H.
Deposit date:2019-04-30
Release date:2019-10-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Active site rearrangement and structural divergence in prokaryotic respiratory oxidases.
Science, 366, 2019
6RLV
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BU of 6rlv by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
Descriptor: 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2019-05-02
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6A84
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BU of 6a84 by Molmil
Tankyrase-2 in complex with compound 15d
Descriptor: 2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
Deposit date:2018-07-06
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
4ZTD
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BU of 4ztd by Molmil
Crystal Structure of Human PCNA in complex with a TRAIP peptide
Descriptor: ALA-GLY-ALA-GLY-ALA, ALA-PHE-GLN-ALA-LYS-LEU-ASP-THR-PHE-LEU-TRP-SER, Proliferating cell nuclear antigen
Authors:Montoya, G, Mortuza, G.B, Blanco, F.J, Ibanez de Opakua, A.
Deposit date:2015-05-14
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:TRAIP is a PCNA-binding ubiquitin ligase that protects genome stability after replication stress.
J.Cell Biol., 212, 2016
4NUF
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BU of 4nuf by Molmil
Crystal Structure of SHP/EID1
Descriptor: EID1 peptide, Maltose ABC transporter periplasmic protein, Nuclear receptor subfamily 0 group B member 2 chimeric construct, ...
Authors:Zhi, X, Zhou, X.E, He, Y, Zechner, C, Suino-Powell, K.M, Kliewer, S.A, Melcher, K, Mangelsdorf, D.J, Xu, H.E.
Deposit date:2013-12-03
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into gene repression by the orphan nuclear receptor SHP.
Proc.Natl.Acad.Sci.USA, 111, 2014
6RQ5
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BU of 6rq5 by Molmil
CYP121 in complex with 3,5-dimethyl dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
4KIP
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BU of 4kip by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
Descriptor: 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
6RRA
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BU of 6rra by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS IN COMPLEX WITH NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Martinez-Julvez, M, Taleb, V, Medina, M.
Deposit date:2019-05-17
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Towards the competent conformation for catalysis in the ferredoxin-NADP+reductase from the Brucella ovis pathogen.
Biochim Biophys Acta Bioenerg, 1860, 2019
6KYD
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BU of 6kyd by Molmil
Structure of the R217A mutant of Clostridium difficile sortase B
Descriptor: Putative peptidase C60B, sortase B
Authors:Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y.
Deposit date:2019-09-18
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
3SFV
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BU of 3sfv by Molmil
Crystal structure of the GDP-bound Rab1a S25N mutant in complex with the coiled-coil domain of LidA from Legionella pneumophila
Descriptor: GUANOSINE-5'-DIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ...
Authors:Yin, K, Lu, D, Zhu, D, Zhang, H, Li, B, Xu, S, Gu, L.
Deposit date:2011-06-14
Release date:2012-04-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Insights into a Unique Legionella pneumophila Effector LidA Recognizing Both GDP and GTP Bound Rab1 in Their Active State
Plos Pathog., 8, 2012
4L31
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BU of 4l31 by Molmil
Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate
Descriptor: GLYCEROL, SULFATE ION, Tankyrase-2, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2013-06-05
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013

223532

數據於2024-08-07公開中

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