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4C3P
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BU of 4c3p by Molmil
Structure of dephosphorylated Aurora A (122-403) bound to TPX2 and AMPPCP
Descriptor: AURORA KINASE A, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION, ...
Authors:Zorba, A, Kutter, S, Kern, D.
Deposit date:2013-08-26
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Molecular Mechanism of Aurora a Kinase Autophosphorylation and its Allosteric Activation by Tpx2.
Elife, 3, 2014
5V02
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BU of 5v02 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Descriptor: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CALCIUM ION, Calmodulin-1, ...
Authors:Liu, S.
Deposit date:2017-02-28
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
1SF8
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BU of 1sf8 by Molmil
Crystal structure of the carboxy-terminal domain of htpG, the E. coli Hsp90
Descriptor: CHLORIDE ION, Chaperone protein htpG, NICKEL (II) ION
Authors:Harris, S.F, Shiau, A.K, Agard, D.A.
Deposit date:2004-02-19
Release date:2004-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the carboxy-terminal dimerization domain of htpG, the Escherichia coli Hsp90, reveals a potential substrate binding site.
Structure, 12, 2004
6D14
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BU of 6d14 by Molmil
Zebrafish TRAP1 bound to AMPPNP and calcium in the asymmetric closed state
Descriptor: CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TNF receptor-associated protein 1
Authors:Elnatan, D, Agard, D.A.
Deposit date:2018-04-11
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Calcium binding to a remote site can replace magnesium as cofactor for mitochondrial Hsp90 (TRAP1) ATPase activity.
J.Biol.Chem., 293, 2018
8K2T
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BU of 8k2t by Molmil
Solution structure of full-length HtpG in complex with D131D
Descriptor: Chaperone protein HtpG, Nuclease A
Authors:Qu, X, Huang, C.
Deposit date:2023-07-13
Release date:2024-06-26
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Structural basis for the dynamic chaperoning of disordered clients by Hsp90.
Nat.Struct.Mol.Biol., 2024
5T3M
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BU of 5t3m by Molmil
Solution structure of a triple mutant of HwTx-IV - a potent blocker of Nav1.7
Descriptor: Mu-theraphotoxin-Hs2a
Authors:Rahnama, S, Sharma, G, Mobli, M.
Deposit date:2016-08-25
Release date:2017-09-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The structure, dynamics and selectivity profile of a NaV1.7 potency-optimised huwentoxin-IV variant.
PLoS ONE, 12, 2017
5V03
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BU of 5v03 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Descriptor: CALCIUM ION, Calmodulin, N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine, ...
Authors:Liu, S.
Deposit date:2017-02-28
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
5VH0
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BU of 5vh0 by Molmil
RHCC in complex with pyrene
Descriptor: 1,2-ETHANEDIOL, Tetrabrachion, pyrene
Authors:McDougall, M, Francisco, O, Stetefeld, J.
Deposit date:2017-04-12
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Proteinaceous Nano container Encapsulate Polycyclic Aromatic Hydrocarbons.
Sci Rep, 9, 2019
5VH7
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BU of 5vh7 by Molmil
Structure and dynamics of RNA repeat expansions that cause Huntington's Disease and myotonic dystrophy type 1
Descriptor: RNA (5'-R(*GP*AP*CP*CP*AP*GP*CP*AP*G)-3')
Authors:Chen, J.L, VanEtten, D.M, Fountain, M.A, Yildirim, I, Disney, M.D.
Deposit date:2017-04-12
Release date:2017-06-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and Dynamics of RNA Repeat Expansions That Cause Huntington's Disease and Myotonic Dystrophy Type 1.
Biochemistry, 56, 2017
5VH8
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BU of 5vh8 by Molmil
Structure and dynamics of RNA repeat expansions that cause Huntington's Disease and myotonic dystrophy type 1
Descriptor: RNA (5'-R(*GP*AP*CP*CP*UP*GP*CP*UP*GP*CP*UP*GP*GP*UP*C)-3')
Authors:Chen, J.L, VanEtten, D.M, Fountain, M.A, Yildirim, I, Disney, M.D.
Deposit date:2017-04-12
Release date:2017-06-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and Dynamics of RNA Repeat Expansions That Cause Huntington's Disease and Myotonic Dystrophy Type 1.
Biochemistry, 56, 2017
5SAF
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BU of 5saf by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-321461
Descriptor: 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SAI
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BU of 5sai by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1424343998
Descriptor: N-{2-[(propan-2-yl)sulfanyl]phenyl}urea, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.022 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SAC
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BU of 5sac by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z59181945
Descriptor: CITRIC ACID, N-hydroxyquinoline-2-carboxamide, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.029 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SA5
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BU of 5sa5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1530301542
Descriptor: 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SA7
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BU of 5sa7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1673618163
Descriptor: 4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.222 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SAG
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BU of 5sag by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-1605072
Descriptor: 3-(1H-imidazol-2-yl)propan-1-amine, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SAA
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BU of 5saa by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z319891284
Descriptor: 3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole, CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.239 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SA4
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BU of 5sa4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z239136710
Descriptor: N-(5-methyl-1H-pyrazol-3-yl)acetamide, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.046 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SA8
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BU of 5sa8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z68299550
Descriptor: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SAD
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BU of 5sad by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z425449682
Descriptor: (3-phenyl-1,2-oxazol-5-yl)methylazanium, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SA9
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BU of 5sa9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2697514548
Descriptor: 1-methylindazole-3-carboxamide, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SA6
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BU of 5sa6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2856434783
Descriptor: N-benzyl-1-(4-fluorophenyl)methanamine, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.517 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SAB
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BU of 5sab by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z31504642
Descriptor: 2-methoxy-N-phenylacetamide, CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
5SAE
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BU of 5sae by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z3219959731
Descriptor: CITRIC ACID, Uridylate-specific endoribonuclease, pyridazin-3(2H)-one
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-05-19
Release date:2021-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
1TQM
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BU of 1tqm by Molmil
Crystal Structure of A. fulgidus Rio2 Serine Protein Kinase Bound to AMPPNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, conserved hypothetical protein
Authors:LaRonde-LeBlanc, N, Wlodawer, A.
Deposit date:2004-06-17
Release date:2004-09-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of A. fulgidus Rio2 Defines a New Family of Serine Protein Kinases
Structure, 12, 2004

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