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6S4M
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BU of 6s4m by Molmil
Crystal structure of the human organic anion transporter MFSD10 (TETRAN)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Major facilitator superfamily domain-containing protein 10
Authors:Pascoa, T.C, Pike, A.C.W, Bushell, S.R, Quigley, A, Chu, A, Mukhopadhyay, S.M.M, Shrestha, L, Venkaya, S, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-06-28
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human organic anion transporter TETRAN (MFSD10)
To be published
3ZWF
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BU of 3zwf by Molmil
Crystal structure of Human tRNase Z, short form (ELAC1).
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ...
Authors:Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
Deposit date:2011-07-29
Release date:2011-08-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Trnase Z, Short Form (Elac1).
To be Published
3ZON
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BU of 3zon by Molmil
Human TYK2 pseudokinase domain bound to a kinase inhibitor
Descriptor: 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2
Authors:Elkins, J.M, Wang, J, Krojer, T, Savitsky, P, Chalk, R, Daga, N, Salah, E, Berridge, G, Picaud, S, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2013-02-22
Release date:2013-04-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor
To be Published
5O5E
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BU of 5o5e by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2017-06-01
Release date:2018-02-28
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
5OCH
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BU of 5och by Molmil
The crystal structure of human ABCB8 in an outward-facing state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 8, mitochondrial, ...
Authors:Faust, B, Pike, A.C.W, Shintre, C.A, Quiqley, A.M, Chu, A, Barr, A, Shrestha, L, Mukhopadhyay, S, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The crystal structure of human ABCB8 in an outward-facing state
To Be Published
5SBF
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BU of 5sbf by Molmil
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU
Descriptor: 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:2021-07-23
Release date:2022-02-09
Last modified:2023-06-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7RB0
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BU of 7rb0 by Molmil
Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 7.5
Descriptor: Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G.
Deposit date:2021-07-05
Release date:2021-07-14
Last modified:2023-06-21
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7RB2
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BU of 7rb2 by Molmil
Cryo-EM structure of SARS-CoV-2 NSP15 NendoU in BIS-Tris pH 6.0
Descriptor: Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G.
Deposit date:2021-07-05
Release date:2021-07-14
Last modified:2023-06-21
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
6IBD
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BU of 6ibd by Molmil
The Phosphatase and C2 domains of Human SHIP1
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Williams, E.P, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-11-29
Release date:2019-01-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
8EYJ
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BU of 8eyj by Molmil
Crystal Structure of uncleaved SARS-CoV-2 Main Protease C145S mutant in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Noske, G.D, Godoy, A.S, Oliva, G.
Deposit date:2022-10-27
Release date:2022-11-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.738 Å)
Cite:An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition.
Nat Commun, 14, 2023
8EY2
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BU of 8ey2 by Molmil
Cryo-EM structure of SARS-CoV-2 Main protease C145S in complex with N-terminal peptide
Descriptor: 3C-like proteinase
Authors:Noske, G.D, Song, Y, Fernandes, R.S, Oliva, G, Godoy, A.S.
Deposit date:2022-10-26
Release date:2022-12-07
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition
Nat Commun, 14, 2023
7KEH
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BU of 7keh by Molmil
Crystal structure from SARS-CoV-2 NendoU NSP15
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G.
Deposit date:2020-10-10
Release date:2020-12-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
7KEG
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BU of 7keg by Molmil
Crystal structure from SARS-COV2 NendoU NSP15
Descriptor: PHOSPHATE ION, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G.
Deposit date:2020-10-10
Release date:2020-12-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
7KF4
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BU of 7kf4 by Molmil
Crystal structure from SARS-CoV-2 NendoU NSP15
Descriptor: CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G.
Deposit date:2020-10-13
Release date:2020-12-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
8BLO
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BU of 8blo by Molmil
Human Urea Transporter UT-A (N-Terminal Domain Model)
Descriptor: Lauryl Maltose Neopentyl Glycol, Urea transporter 2, di-heneicosanoyl phosphatidyl choline
Authors:Chi, G, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Scacioc, A, Wang, D, McKinley, G, Fernandez-Cid, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Burgess-Brown, N.A, van Putte, W, Duerr, K.
Deposit date:2022-11-10
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
8BLP
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BU of 8blp by Molmil
Human Urea Transporter UT-B/UT1 in Complex with Inhibitor UTBinh-14
Descriptor: 10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Chi, G, Dietz, L, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, Scacioc, A, McKinley, G, Arrowsmith, C.H, Edwards, A, Bountra, C, Fernandez-Cid, A, Burgess-Brown, N.A, Duerr, K.L.
Deposit date:2022-11-10
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
5FTA
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BU of 5fta by Molmil
Crystal structure of the N-terminal BTB domain of human KCTD10
Descriptor: BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 3, MERCURY (II) ION
Authors:Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Tallant, C, Newman, J.A, Kopec, J, Fitzpatrick, F, Talon, R, Collins, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2016-01-12
Release date:2016-02-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
7N7Y
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BU of 7n7y by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050
Descriptor: Uridylate-specific endoribonuclease, methyl 4-sulfamoylbenzoate
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:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7U
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BU of 7n7u by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7
Descriptor: 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, 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:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N83
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BU of 7n83 by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438
Descriptor: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, 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:2021-06-12
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7W
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BU of 7n7w by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569
Descriptor: N-(2-fluorophenyl)-N'-methylurea, 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:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7R
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BU of 7n7r by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267
Descriptor: 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-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:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
6XY7
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BU of 6xy7 by Molmil
Human SHIP1 with magnesium and phosphate bound to the active site
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bradshaw, W.J, Scacioc, A, Fernandez-Cid, A, Mckinley, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-01-29
Release date:2020-02-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.086 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
7ME0
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BU of 7me0 by Molmil
Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 6.0
Descriptor: Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G.
Deposit date:2021-04-06
Release date:2021-04-14
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
6Y5V
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BU of 6y5v by Molmil
Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L.
Deposit date:2020-02-25
Release date:2020-07-15
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (4.08 Å)
Cite:Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021

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