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6K1E
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BU of 6k1e by Molmil
Crystal structure of EXD2 exonuclease domain soaked in Mg and GMP
Descriptor: Exonuclease 3'-5' domain-containing protein 2, MAGNESIUM ION
Authors:Park, J, Lee, C.
Deposit date:2019-05-10
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of human EXD2 reveals a chimeric 3' to 5' exonuclease domain that discriminates substrates via metal coordination.
Nucleic Acids Res., 47, 2019
5K9O
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BU of 5k9o by Molmil
Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009
Descriptor: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.387 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5K9Q
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BU of 5k9q by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
Descriptor: 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-11-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
6K1B
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BU of 6k1b by Molmil
Crystal structure of EXD2 exonuclease domain soaked in Mn and dGMP
Descriptor: Exonuclease 3'-5' domain-containing protein 2, MANGANESE (II) ION
Authors:Park, J, Lee, C.
Deposit date:2019-05-10
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:The structure of human EXD2 reveals a chimeric 3' to 5' exonuclease domain that discriminates substrates via metal coordination.
Nucleic Acids Res., 47, 2019
4DCQ
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BU of 4dcq by Molmil
Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form)
Descriptor: 1,2-ETHANEDIOL, 3B5H10 FAB Heavy Chain, 3B5H10 FAB Light Chain
Authors:Peters-Libeu, C.A, Tran, T, Finkbeiner, S, Weisgraber, K.
Deposit date:2012-01-18
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
7EXP
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BU of 7exp by Molmil
Crystal structure of zebrafish TRAP1 with AMPPNP and MitoQ
Descriptor: 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione, COBALT (II) ION, MAGNESIUM ION, ...
Authors:Lee, H, Yoon, N.G, Kang, B.H, Lee, C.
Deposit date:2021-05-28
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Mitoquinone Inactivates Mitochondrial Chaperone TRAP1 by Blocking the Client Binding Site.
J.Am.Chem.Soc., 143, 2021
7KC1
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BU of 7kc1 by Molmil
Cryo-EM structure of SRR2899884.46167H+MEDI8852L fab in complex with Victoria HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-10-04
Release date:2021-05-12
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Sequence-Signature Optimization Enables Improved Identification of Human HV6-1-Derived Class Antibodies That Neutralize Diverse Influenza A Viruses.
Front Immunol, 12, 2021
4EZ5
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BU of 4ez5 by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
Authors:Chopra, R, Xu, M.
Deposit date:2012-05-02
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
3S96
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BU of 3s96 by Molmil
Crystal structure of 3B5H10
Descriptor: 3B5H10 FAB heavy chain, 3B5H10 FAB light chain
Authors:Weisgraber, K, Peters-Libeu, C, Rutenber, E, Newhouse, Y, Finkbeiner, S.
Deposit date:2011-05-31
Release date:2012-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
5JU7
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BU of 5ju7 by Molmil
DNA BINDING DOMAIN OF E.COLI CADC
Descriptor: Transcriptional activator CadC, ZINC ION
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2016-05-10
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-function analysis of the DNA-binding domain of a transmembrane transcriptional activator.
Sci Rep, 7, 2017
5H4V
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BU of 5h4v by Molmil
Structure of glutamyl-tRNA synthetase (Xoo1504) from Xanthomonas oryzae pv. oryzae
Descriptor: Glutamate--tRNA ligase
Authors:Doan, T.-N.-T, Ho, T.-H, Kang, L.-W.
Deposit date:2016-11-02
Release date:2017-10-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Transcriptional expression of aminoacyl tRNA synthetase genes of Xanthomonas oryzae pv. oryzae (Xoo) on rice-leaf extract treatment and crystal structure of Xoo glutamyl-tRNA synthetase
CROP PASTURE SCI, 68, 2017
5WCD
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BU of 5wcd by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 04-1D02 Fab.
Descriptor: PHOSPHATE ION, SULFATE ION, VRC315 04-1D02 Fab Heavy chain, ...
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2017-06-29
Release date:2017-08-23
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.814 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
5WCA
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BU of 5wca by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 27-1C08 Fab.
Descriptor: VRC315 27-1C08 Fab Heavy chain, VRC315 27-1C08 Fab Light chain
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2017-06-29
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
5WCC
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BU of 5wcc by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 02-1F07 Fab.
Descriptor: GLYCEROL, POLYETHYLENE GLYCOL (N=34), SULFATE ION, ...
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2017-06-29
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
5GAK
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BU of 5gak by Molmil
Yeast 60S ribosomal subunit with A-site tRNA, P-site tRNA and eIF-5A
Descriptor: 25S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, 5.8S rRNA, ...
Authors:Schmidt, C, Becker, T.
Deposit date:2015-12-09
Release date:2016-02-24
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structure of the hypusinylated eukaryotic translation factor eIF-5A bound to the ribosome.
Nucleic Acids Res., 44, 2016
3IOP
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BU of 3iop by Molmil
PDK-1 in complex with the inhibitor Compound-8i
Descriptor: 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
Authors:Olland, A.M.
Deposit date:2009-08-14
Release date:2010-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
3ION
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BU of 3ion by Molmil
PDK1 in complex with Compound 8h
Descriptor: 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
Authors:Olland, A.M.
Deposit date:2009-08-14
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
3S22
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BU of 3s22 by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with an inhibitor
Descriptor: Beta-lactamase, CHLORIDE ION, [(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
Authors:Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
Deposit date:2011-05-16
Release date:2011-06-29
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
4ZPV
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BU of 4zpv by Molmil
Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ...
Authors:Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
Deposit date:2015-05-08
Release date:2015-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
4ZPW
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BU of 4zpw by Molmil
Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein
Authors:Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
Deposit date:2015-05-08
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.023 Å)
Cite:Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
3KCF
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BU of 3kcf by Molmil
Crystal structure of TGFbRI complexed with a pyrazolone inhibitor
Descriptor: 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one, PHOSPHATE ION, TGF-beta receptor type-1
Authors:Boriack-Sjodin, P.A.
Deposit date:2009-10-21
Release date:2009-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrazolone based TGFbetaR1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4NK3
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BU of 4nk3 by Molmil
Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
Deposit date:2013-11-12
Release date:2014-02-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
3NUP
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BU of 3nup by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6
Authors:Chopra, R.
Deposit date:2010-07-07
Release date:2010-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
3NUX
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BU of 3nux by Molmil
CDK6 (monomeric) in complex with inhibitor
Descriptor: 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6
Authors:Chopra, R.
Deposit date:2010-07-07
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
5NV8
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BU of 5nv8 by Molmil
Structural basis for EarP-mediated arginine glycosylation of translation elongation factor EF-P
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, EF-P arginine 32 rhamnosyl-transferase
Authors:Macosek, J, Krafczyk, R, Jagtap, P.K.A, Lassaka, J, Hennig, J.
Deposit date:2017-05-03
Release date:2017-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Structural Basis for EarP-Mediated Arginine Glycosylation of Translation Elongation Factor EF-P.
MBio, 8, 2017

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