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6VA3
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BU of 6va3 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC
Descriptor: 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6ORN
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BU of 6orn by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch bNAb 10-1074
Descriptor: 10-1074 antibody Fab heavy chain, 10-1074 antibody Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
3ND4
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BU of 3nd4 by Molmil
Watson-Crick 16-mer dsRNA
Descriptor: 5'-R(*AP*GP*AP*GP*AP*AP*GP*AP*UP*CP*UP*UP*CP*UP*CP*U)-3', MAGNESIUM ION, POTASSIUM ION, ...
Authors:Mooers, B.H, Singh, A.
Deposit date:2010-06-07
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.524 Å)
Cite:The crystal structure of an oligo(U):pre-mRNA duplex from a trypanosome RNA editing substrate.
Rna, 17, 2011
6X61
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BU of 6x61 by Molmil
Crystal structure of the N-terminal thioredoxin domain of SasA in complex with the N-terminal CI domain of KaiC from Thermosynchococcus elongatus
Descriptor: Adaptive-response sensory-kinase SasA, Circadian clock protein kinase KaiC, PHOSPHATE ION
Authors:Swan, J.A, Tripathi, S.M, Partch, C.L.
Deposit date:2020-05-27
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Reconstitution of an intact clock reveals mechanisms of circadian timekeeping.
Science, 374, 2021
8A4I
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BU of 8a4i by Molmil
Crystal structure of SALL4 zinc finger cluster 4 with AT-rich DNA
Descriptor: DNA (5'-D(*GP*AP*TP*AP*TP*TP*AP*AP*TP*AP*TP*C)-3'), MAGNESIUM ION, Sal-like protein 4, ...
Authors:Watson, J.A, Pantier, R, Jayachandran, U, Chhatbar, K, Alexander-Howden, B, Kruusvee, V, Prendecki, M, Bird, A, Cook, A.G.
Deposit date:2022-06-11
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure of SALL4 zinc finger domain reveals link between AT-rich DNA binding and Okihiro syndrome.
Life Sci Alliance, 6, 2023
3RK9
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BU of 3rk9 by Molmil
CDK2 in complex with inhibitor RC-2-74
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-17
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
6XLZ
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BU of 6xlz by Molmil
Structure of NHP D11A.F2 Fab in complex with 16055 V2b peptide
Descriptor: (R,R)-2,3-BUTANEDIOL, Envelope glycoprotein gp160, NHP_D11A.F2_Fab_Heavy_chain, ...
Authors:Aljedani, S, Rodarte, J, Liban, T, Pancera, M.
Deposit date:2020-06-29
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6ORQ
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BU of 6orq by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab275MUR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab275MUR antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
6XSN
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BU of 6xsn by Molmil
Crystal structure of NHP VD20.5A4 Fab in complex with 16055 V1V2 1FD6 scaffold
Descriptor: 1,2-ETHANEDIOL, 16055_V1V2-1FD6, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Aljedani, S, Pancera, M.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6OX7
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BU of 6ox7 by Molmil
The complex of 1918 NS1-ED and the iSH2 domain of the human p85beta subunit of PI3K
Descriptor: Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Shen, Q, Zhao, B, Li, P, Cho, J.H.
Deposit date:2019-05-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses.
Proc.Natl.Acad.Sci.USA, 117, 2020
6B3M
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BU of 6b3m by Molmil
The crystal structure of a broadly-reactive human anti-hemagglutinin stalk antibody (70-1F02) in complex with H5 hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 70-1F02 Fab Heavy Chain, ...
Authors:Shore, D.A, Yang, H, Stevens, J.
Deposit date:2017-09-22
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:Broadly Reactive Human Monoclonal Antibodies Elicited following Pandemic H1N1 Influenza Virus Exposure Protect Mice against Highly Pathogenic H5N1 Challenge.
J. Virol., 92, 2018
6ORP
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BU of 6orp by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab897NHP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab897NHP antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
6OQO
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BU of 6oqo by Molmil
CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine
Descriptor: Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
Authors:Murray, J.M, Boenig, G.D.L.
Deposit date:2019-04-26
Release date:2020-07-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
6OQL
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BU of 6oql by Molmil
CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine
Descriptor: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6
Authors:Murray, J.M.
Deposit date:2019-04-26
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.707 Å)
Cite:Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
6VA2
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BU of 6va2 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5
Descriptor: (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
7E5J
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BU of 7e5j by Molmil
Crystal structure of beta-glucosidase from Thermoanaerobacterium saccharolyticum
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, SODIUM ION
Authors:Nam, K.H.
Deposit date:2021-02-18
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Biochemical and Structural Analysis of a Glucose-Tolerant beta-Glucosidase from the Hemicellulose-Degrading Thermoanaerobacterium saccharolyticum.
Molecules, 27, 2022
7E3W
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BU of 7e3w by Molmil
Metallo beta-lactamase fold protein (cAMP bound)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Lee, K.-Y, Kim, D.-G, Lee, B.-J.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and functional studies of SAV1707 from Staphylococcus aureus elucidate its distinct metal-dependent activity and a crucial residue for catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
6B8Z
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BU of 6b8z by Molmil
Multiconformer model of WT PTP1B with BB3 at 273 K
Descriptor: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
7E3V
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BU of 7e3v by Molmil
Metallo beta-lactamase fold protein (cAMP free)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Lee, K.-Y, Kim, D.-G, Lee, B.-J.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional studies of SAV1707 from Staphylococcus aureus elucidate its distinct metal-dependent activity and a crucial residue for catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
6P5J
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BU of 6p5j by Molmil
Structure of a mammalian 80S ribosome in complex with the Israeli Acute Paralysis Virus IRES (Class 2)
Descriptor: 18S rRNA, 28S rRNA, 5.8S rRNA, ...
Authors:Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
5B79
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BU of 5b79 by Molmil
Crystal structure of DPF2 double PHD finger
Descriptor: ZINC ION, Zinc finger protein ubi-d4
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
8SBS
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BU of 8sbs by Molmil
Fumarate C - R126A in (3-(N-morpholino)propanesulfonic acid) at pH 7.5
Descriptor: Fumarate hydratase class II
Authors:Weaver, T.M, May, J, Bhattacharyya, B.
Deposit date:2023-04-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fumarate C - R126A in (3-(N-morpholino)propanesulfonic acid) at pH 7.5
To Be Published
6P5I
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BU of 6p5i by Molmil
Structure of a mammalian 80S ribosome in complex with the Israeli Acute Paralysis Virus IRES (Class 1)
Descriptor: 18S rRNA, 28S rRNA, 5.8S rRNA, ...
Authors:Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2020-02-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
6P4H
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BU of 6p4h by Molmil
Structure of a mammalian small ribosomal subunit in complex with the Israeli Acute Paralysis Virus IRES (Class 2)
Descriptor: 18S rRNA, IAPV-IRES, RACK1, ...
Authors:Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S.
Deposit date:2019-05-27
Release date:2019-09-18
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
3O6I
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BU of 3o6i by Molmil
Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator
Descriptor: 2-[({3-tert-butyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L.
Deposit date:2010-07-29
Release date:2010-09-15
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel series of positive modulators of the AMPA receptor: structure-based lead optimization.
Bioorg.Med.Chem.Lett., 20, 2010

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