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PDB: 42391 results

5HD5
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BU of 5hd5 by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 200 ns time delay photo-activated (light) structure
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-04
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
3FED
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BU of 3fed by Molmil
The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with a transition state analog of Glu-Glu
Descriptor: (2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lubkowski, J, Barinka, C, Hlouchova, K.
Deposit date:2008-11-28
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
3FEE
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BU of 3fee by Molmil
The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lubkowski, J, Barinka, C, Hlouchova, K.
Deposit date:2008-11-28
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
8RBS
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BU of 8rbs by Molmil
Emiliania huxleyi virus 201 (EhV-201) asymmetrical unit of capsid proteins predicted by AlphaFold2 fitted into the cryo-EM density of EhV-201 virion composite map.
Descriptor: Major capsid protein, Penton protein
Authors:Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P.
Deposit date:2023-12-04
Release date:2023-12-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi.
Sci Adv, 10, 2024
8RBT
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BU of 8rbt by Molmil
Emiliania huxleyi virus 201 (EhV-201) capsid proteins predicted by AlphaFold2 fitted into a cryo-EM density map of the EhV-201 virion capsid.
Descriptor: Major capsid protein, Penton protein
Authors:Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P.
Deposit date:2023-12-04
Release date:2023-12-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi.
Sci Adv, 10, 2024
8QOT
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BU of 8qot by Molmil
Structure of the mu opioid receptor bound to the antagonist nanobody NbE
Descriptor: Anti-Fab Nanobody, Mu-type opioid receptor, NabFab HC, ...
Authors:Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Manglik, A, Ballet, S, Boland, A, Stoeber, M.
Deposit date:2023-09-29
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist.
Biorxiv, 2023
3T3M
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BU of 3t3m by Molmil
A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2011-07-25
Release date:2012-03-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
5HIE
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BU of 5hie by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
Descriptor: Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HYX
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BU of 5hyx by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-SER-ASN-PRO-GLY-HIS-HIS-PRO-HYP-ARG-HIS-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Signature motif-guided identification of receptors for peptide hormones essential for root meristem growth
Cell Res., 26, 2016
6TCY
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BU of 6tcy by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS555
Descriptor: 1,2-ETHANEDIOL, 2-METHOXYETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Stransky, J, Barinka, C.
Deposit date:2019-11-06
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rational Design of Suprastat: A Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models.
J.Med.Chem., 63, 2020
8RB4
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BU of 8rb4 by Molmil
Structure of the five-fold capsomer of the PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2 homolog
Authors:Erlendsson, S, Xu, J, Shepherd, J.D, Briggs, J.A.G.
Deposit date:2023-12-02
Release date:2024-02-14
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:PNMA2 forms immunogenic non-enveloped virus-like capsids associated with paraneoplastic neurological syndrome.
Cell, 187, 2024
8QRT
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BU of 8qrt by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8QS0
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BU of 8qs0 by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-10
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
3FQA
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BU of 3fqa by Molmil
Gabaculien complex of gabaculine resistant GSAM version
Descriptor: 3-AMINOBENZOIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase
Authors:Stetefeld, J.
Deposit date:2009-01-07
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Absence of a catalytic water confers resistance to the neurotoxin gabaculine.
Faseb J., 24, 2010
4ZMI
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BU of 4zmi by Molmil
Crystal structure of the Helical domain of S. pombe Taz1
Descriptor: COBALT (II) ION, MAGNESIUM ION, Telomere length regulator taz1
Authors:Deng, W, Wu, J, Wang, F, Lei, M.
Deposit date:2015-05-04
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fission yeast telomere-binding protein Taz1 is a functional but not a structural counterpart of human TRF1 and TRF2.
Cell Res., 25, 2015
8RB5
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BU of 8rb5 by Molmil
Structure of the three-fold capsomer of the PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2 homolog
Authors:Erlendsson, S, Xu, J, Shepherd, J.D, Briggs, J.A.G.
Deposit date:2023-12-03
Release date:2024-02-14
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:PNMA2 forms immunogenic non-enveloped virus-like capsids associated with paraneoplastic neurological syndrome.
Cell, 187, 2024
6TQU
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BU of 6tqu by Molmil
The crystal structure of the MSP domain of human MOSPD2 in complex with the Phospho-FFAT motif of STARD3.
Descriptor: Motile sperm domain-containing protein 2, SULFATE ION, StAR-related lipid transfer protein 3
Authors:McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F.
Deposit date:2019-12-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
6THC
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BU of 6thc by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone
Descriptor: (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
8RB3
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BU of 8rb3 by Molmil
Structure of the PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2 homolog
Authors:Erlendsson, S, Xu, J, Shepherd, J.D, Briggs, J.A.G.
Deposit date:2023-12-02
Release date:2024-02-14
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:PNMA2 forms immunogenic non-enveloped virus-like capsids associated with paraneoplastic neurological syndrome.
Cell, 187, 2024
8RB7
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BU of 8rb7 by Molmil
Structure of the two-fold capsomer of the PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2 homolog
Authors:Erlendsson, S, Xu, J, Shepherd, J.D, Briggs, J.A.G.
Deposit date:2023-12-03
Release date:2024-02-14
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:PNMA2 forms immunogenic non-enveloped virus-like capsids associated with paraneoplastic neurological syndrome.
Cell, 187, 2024
8R5H
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BU of 8r5h by Molmil
Ubiquitin ligation to neosubstrate by a cullin-RING E3 ligase & Cdc34: NEDD8-CUL2-RBX1-ELOB/C-VHL-MZ1 with trapped UBE2R2~donor UB-BRD4 BD2
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 5-azanylpentan-2-one, Bromodomain-containing protein 4, ...
Authors:Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A.
Deposit date:2023-11-16
Release date:2024-02-21
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Cullin-RING ligases employ geometrically optimized catalytic partners for substrate targeting.
Mol.Cell, 84, 2024
6TM0
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BU of 6tm0 by Molmil
N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL
Descriptor: Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J.
Deposit date:2019-12-03
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
8R1C
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BU of 8r1c by Molmil
SD1-2 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-2 fab heavy chain, SD1-2 fab light chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2023-11-01
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86.
Nat Commun, 15, 2024
3T9K
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BU of 3t9k by Molmil
Crystal Structure of ACAP1 C-portion mutant S554D fused with integrin beta1 peptide
Descriptor: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1,Peptide from Integrin beta-1, SULFATE ION, ...
Authors:Sun, F, Pang, X, Zhang, K, Ma, J, Zhou, Q.
Deposit date:2011-08-03
Release date:2012-07-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic insights into regulated cargo binding by ACAP1 protein
J.Biol.Chem., 287, 2012
6TPA
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BU of 6tpa by Molmil
CDK8/CyclinC in complex with drug ETP-50775
Descriptor: (2~{R})-butane-1,2-diol, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea, Cyclin-C, ...
Authors:Munoz, I.G, Pastor, J, Martinez, S.
Deposit date:2019-12-12
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors.
Eur.J.Med.Chem., 201, 2020

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