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5QS4
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BU of 5qs4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z30820160
分子名称: CADMIUM ION, N-(4-methyl-1,3-thiazol-2-yl)propanamide, T-box transcription factor T
著者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.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QSM
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BU of 5qsm by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z57261895
分子名称: 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide, Cohesin subunit SA-1
著者Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRQ
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BU of 5qrq by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z645232558
分子名称: CADMIUM ION, T-box transcription factor T, [1-(pyrimidin-2-yl)piperidin-4-yl]methanol
著者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.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRV
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BU of 5qrv by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z198194396
分子名称: 4-(furan-2-carbonyl)piperazine-1-carboxamide, CADMIUM ION, T-box transcription factor T
著者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.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QS0
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BU of 5qs0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z274555794
分子名称: CADMIUM ION, N-(3-acetylphenyl)morpholine-4-carboxamide, T-box transcription factor T
著者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.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QSJ
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BU of 5qsj by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z198194394
分子名称: 4-(4-fluorophenyl)piperazine-1-carboxamide, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QSX
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BU of 5qsx by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434812
分子名称: 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol, Cohesin subunit SA-1
著者Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-07-16
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5RL8
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BU of 5rl8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53825177
分子名称: Helicase, N-(2-fluorophenyl)ethanesulfonamide, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLQ
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PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z285782452
分子名称: Helicase, N-methyl-2-(methylsulfonyl)aniline, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.225 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLJ
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BU of 5rlj by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1407673036
分子名称: (2S)-2-phenylpropane-1-sulfonamide, Helicase, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RM9
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BU of 5rm9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434942
分子名称: Helicase, PHOSPHATE ION, ZINC ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RM2
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BU of 5rm2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527
分子名称: 1-(diphenylmethyl)azetidin-3-ol, Helicase, PHOSPHATE ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMH
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BU of 5rmh by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1101755952
分子名称: Helicase, PHOSPHATE ION, ZINC ION, ...
著者Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RYP
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BU of 5ryp by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1929757385
分子名称: (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZ1
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BU of 5rz1 by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z27682767
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZJ
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BU of 5rzj by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434938
分子名称: 1,2-ETHANEDIOL, 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZZ
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BU of 5rzz by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1551999220
分子名称: (2R)-3-(4-bromophenyl)-2-methylpropanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5ORI
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BU of 5ori by Molmil
Structure of caprine serum albumin in orthorhombic crystal system
分子名称: Albumin
著者Bujacz, A, Talaj, J.A, Bujacz, G, Pietrzyk-Brzezinska, A.J.
登録日2017-08-16
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Acta Crystallogr D Struct Biol, 73, 2017
5OTB
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BU of 5otb by Molmil
Structure of caprine serum albumin in P1 space group
分子名称: Albumin, DI(HYDROXYETHYL)ETHER, PROLINE, ...
著者Talaj, J.A, Bujacz, A, Bujacz, G.
登録日2017-08-21
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Acta Crystallogr D Struct Biol, 73, 2017
5OOG
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BU of 5oog by Molmil
Human biliverdin IX beta reductase: NADP/Phloxine B ternary complex
分子名称: Flavin reductase (NADPH), GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Manso, J.A, Pereira, P.J.B.
登録日2017-08-07
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献In silicoand crystallographic studies identify key structural features of biliverdin IX beta reductase inhibitors having nanomolar potency.
J. Biol. Chem., 293, 2018
5ORF
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BU of 5orf by Molmil
Structure of ovine serum albumin in P1 space group
分子名称: DI(HYDROXYETHYL)ETHER, PROLINE, Serum albumin, ...
著者Talaj, J.A, Bujacz, A, Bujacz, G, Pietrzyk-Brzezinska, A.J.
登録日2017-08-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Acta Crystallogr D Struct Biol, 73, 2017
5Q1O
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BU of 5q1o by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000478a
分子名称: 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole, DNA cross-link repair 1A protein, MALONATE ION, ...
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-15
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q26
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BU of 5q26 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000710a
分子名称: 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide, DNA cross-link repair 1A protein, MALONATE ION, ...
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-15
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q2P
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BU of 5q2p by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 17)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q1V
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BU of 5q1v by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000166a
分子名称: 1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, DNA cross-link repair 1A protein, MALONATE ION, ...
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-15
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献PanDDA analysis group deposition
To Be Published

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件を2024-09-25に公開中

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