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5QS7
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BU of 5qs7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z32327641
Descriptor: T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRS
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BU of 5qrs by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1891773393
Descriptor: CADMIUM ION, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-07-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOO
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BU of 5qoo by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000144a
Descriptor: 1,2-ETHANEDIOL, 2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide, ACETATE ION, ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QS4
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BU of 5qs4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z30820160
Descriptor: CADMIUM ION, N-(4-methyl-1,3-thiazol-2-yl)propanamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-07-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QXP
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BU of 5qxp by Molmil
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ732
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
Authors:Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
Deposit date:2020-02-11
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
5QXQ
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BU of 5qxq by Molmil
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ779
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
Authors:Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
Deposit date:2020-02-11
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
5QXT
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BU of 5qxt by Molmil
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH47
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
Authors:Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
Deposit date:2020-02-11
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
5RAE
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BU of 5rae by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001558a
Descriptor: 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid, CHLORIDE ION, Lysine-specific demethylase 3B, ...
Authors:Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2020-03-16
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5RGT
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BU of 5rgt by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011607 (Mpro-x2540)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-15
Release date:2020-05-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
To Be Published
5OML
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BU of 5oml by Molmil
Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope
Descriptor: (3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ...
Authors:Ratkova, E.L, Dawidowski, M, Napolitano, V, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V.
Deposit date:2017-08-01
Release date:2019-03-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope
To Be Published
5O19
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BU of 5o19 by Molmil
Japanese encephalitis virus non-structural protein 1 C-terminal domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Genome polyprotein, SULFATE ION
Authors:Poonsiri, T, Wright, G.S.A, Antonyuk, S.V.
Deposit date:2017-05-18
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus.
J. Virol., 92, 2018
5OW2
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BU of 5ow2 by Molmil
Japanese encephalitis virus capsid protein
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, capsid protein
Authors:Poonsiri, T, Wright, G.S.A, Antonyuk, S.V.
Deposit date:2017-08-30
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of the Japanese Encephalitis Virus Capsid Protein.
Viruses, 11, 2019
6VD7
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BU of 6vd7 by Molmil
Cryo-EM structure of Xenopus tropicalis pannexin 1 channel
Descriptor: Pannexin
Authors:Syrjanen, J.L, Michalski, M, Furukawa, H, Kawate, T.
Deposit date:2019-12-23
Release date:2020-02-26
Last modified:2020-04-15
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:The Cryo-EM structure of pannexin 1 reveals unique motifs for ion selection and inhibition.
Elife, 9, 2020
6M02
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BU of 6m02 by Molmil
cryo-EM structure of human Pannexin 1 channel
Descriptor: Pannexin-1
Authors:Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z.
Deposit date:2020-02-19
Release date:2020-03-25
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of human heptameric Pannexin 1 channel.
Cell Res., 30, 2020
6LTN
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BU of 6ltn by Molmil
cryo-EM structure of C-terminal truncated human Pannexin1
Descriptor: Pannexin-1
Authors:Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D.
Deposit date:2020-01-23
Release date:2020-05-13
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for gating mechanism of Pannexin 1 channel.
Cell Res., 30, 2020
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M66
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BU of 6m66 by Molmil
The Cryo-EM Structure of Human Pannexin 1
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6LTO
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BU of 6lto by Molmil
cryo-EM structure of full length human Pannexin1
Descriptor: Pannexin-1
Authors:Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D.
Deposit date:2020-01-23
Release date:2020-05-13
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for gating mechanism of Pannexin 1 channel.
Cell Res., 30, 2020
6M67
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BU of 6m67 by Molmil
The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
8HWQ
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BU of 8hwq by Molmil
Cryo-EM structure of human pannexin 3 with C-terminal truncated
Descriptor: Pannexin-3
Authors:Zhang, H, Zhang, H, Wang, D.
Deposit date:2023-01-02
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structure of human pannexin 3 with C-terminal truncated
To Be Published
7XLB
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BU of 7xlb by Molmil
Cryo-EM structure of human pannexin 2
Descriptor: Pannexin-2
Authors:Hang, Z, Huawei, Z, Daping, W.
Deposit date:2022-04-21
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Cryo-EM structure of human heptameric pannexin 2 channel
Nat Commun, 14, 2023
7XL6
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BU of 7xl6 by Molmil
Cryo-EM structure of human pannexin 3
Descriptor: Pannexin-3
Authors:Hang, Z, Huawei, Z, Daping, W.
Deposit date:2022-04-21
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Cryo-EM structure of human pannexin 3
To Be Published
1YA7
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BU of 1ya7 by Molmil
Implications for interactions of proteasome with PAN and PA700 from the 1.9 A structure of a proteasome-11S activator complex
Descriptor: GLYCEROL, Proteasome alpha subunit, Proteasome beta subunit, ...
Authors:Forster, A, Masters, E.I, Whitby, F.G, Robinson, H, Hill, C.P.
Deposit date:2004-12-17
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 1.9 A structure of a proteasome-11S activator complex and implications for proteasome-PAN/PA700 interactions.
Mol.Cell, 18, 2005
1Y6P
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BU of 1y6p by Molmil
Crystal structure of disulfide engineered porcine pancratic phospholipase a2 to group-x isozyme
Descriptor: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
Authors:Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K.
Deposit date:2004-12-06
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005
1Y6O
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BU of 1y6o by Molmil
Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X isozyme in complex with inhibitor MJ33 and phosphate ions
Descriptor: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K.
Deposit date:2004-12-06
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005

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