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8QZ9
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BU of 8qz9 by Molmil
Human 20S proteasome assembly intermediate structure 4
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 2024
8QYL
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BU of 8qyl by Molmil
Human 20S proteasome assembly intermediate structure 2
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 2024
6O44
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BU of 6o44 by Molmil
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Nattokinase, ...
Authors:Tang, H, Shi, K, Aihara, H.
Deposit date:2019-02-28
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis.
Biochem. Biophys. Res. Commun., 512, 2019
6GJ8
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BU of 6gj8 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852
Descriptor: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
4MC5
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BU of 4mc5 by Molmil
Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J.
Deposit date:2013-08-21
Release date:2013-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
Descriptor: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Tang, Y.
Deposit date:2021-03-08
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
5XM8
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BU of 5xm8 by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme and Pb.
Descriptor: DNA (23-mer), DNA (36-MER), LEAD (II) ION, ...
Authors:Liu, H.H, Gan, J.H.
Deposit date:2017-05-13
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
3HIB
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BU of 3hib by Molmil
Crystal structure of the second Sec63 domain of yeast Brr2
Descriptor: Pre-mRNA-splicing helicase BRR2
Authors:Zhang, L, Xu, T, Zhao, R.
Deposit date:2009-05-19
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for consecutive Hel308-like modules in the spliceosomal ATPase Brr2.
Nat.Struct.Mol.Biol., 16, 2009
3E8C
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BU of 3e8c by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E87
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BU of 3e87 by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Descriptor: Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8D
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BU of 3e8d by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
8FBZ
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BU of 8fbz by Molmil
Crystal Structure of apo human Glutathione Synthetase Y270E
Descriptor: GLYCEROL, Glutathione synthetase, SULFATE ION
Authors:Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N.
Deposit date:2022-11-30
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy.
Sci Adv, 10, 2024
3E8E
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BU of 3e8e by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
6O8R
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BU of 6o8r by Molmil
Syn-safencin 24
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
8SJ7
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BU of 8sj7 by Molmil
Crystal structure of FBF-2 (RBD+CT) in complex with compact FBE RNA
Descriptor: Fem-3 mRNA-binding factor 2, RNA (5'-R(*CP*UP*GP*UP*GP*AP*AP*UP*G)-3')
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2023-04-17
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Intra- and inter-molecular regulation by intrinsically-disordered regions governs PUF protein RNA binding.
Nat Commun, 14, 2023
6O8J
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BU of 6o8j by Molmil
Syn-safencin
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-04-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8P
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BU of 6o8p by Molmil
Syn-safencin 8
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
8G4U
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BU of 8g4u by Molmil
Final ketosynthase+acyltransferase of the erythromycin modular polyketide synthase
Descriptor: EryAIII
Authors:Keatinge-Clay, A.T.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures reveal the framework of cis -acyltransferase modular polyketide synthases.
Biorxiv, 2023
7SSB
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BU of 7ssb by Molmil
Co-structure of PKG1 regulatory domain with compound 33
Descriptor: 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid, cGMP-dependent protein kinase 1
Authors:Fischmann, T.O.
Deposit date:2021-11-10
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1 alpha.
J.Med.Chem., 65, 2022
8AFC
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BU of 8afc by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12
Descriptor: 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AFB
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BU of 8afb by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474)
Descriptor: (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AFD
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BU of 8afd by Molmil
CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a
Descriptor: (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.633 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
Descriptor: CREB-binding protein, Histone H3
Authors:Xu, L.
Deposit date:2016-06-19
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
8GKA
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BU of 8gka by Molmil
Human TRPV3 tetramer structure, closed conformation
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Lansky, S, Betancourt, J.M, Scheuring, S.
Deposit date:2023-03-17
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
8GKG
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BU of 8gkg by Molmil
Human TRPV3 pentamer structure
Descriptor: Transient receptor potential cation channel subfamily V member 3
Authors:Lansky, S, Betancourt, J.M, Scheuring, S.
Deposit date:2023-03-18
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (4.38 Å)
Cite:A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023

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