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PDB: 3980 件
5QQZ
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BU of 5qqz by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1675346324
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
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
4O2W
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BU of 4o2w by Molmil
Crystal structure of the third RCC1-like domain of HERC1
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase HERC1, MAGNESIUM ION, ...
著者Dong, A, Hu, J, Li, Y, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2013-12-17
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the third RCC1-like domain of HERC1
To be Published
5QR4
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BU of 5qr4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434826
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
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
5QIS
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BU of 5qis by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102500
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-(5-methyl-1,2-oxazol-3-yl)acetamide, ...
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Covalent fragment group deposition
To Be Published
4HSG
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BU of 4hsg by Molmil
Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD)
分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION
著者Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2012-10-30
公開日2012-12-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013
6T9N
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BU of 6t9n by Molmil
CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(4,5)P2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-10-28
公開日2019-11-20
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2.
Structure, 28, 2020
5QR3
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BU of 5qr3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z915492990
分子名称: 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QQV
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BU of 5qqv by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1545312521
分子名称: (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6T9O
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BU of 6t9o by Molmil
CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(3,5)P2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-10-28
公開日2019-11-20
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2.
Structure, 28, 2020
4XDL
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BU of 4xdl by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative.
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ...
著者Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
5QR9
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BU of 5qr9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31478129
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4NYV
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BU of 4nyv by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
分子名称: 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, Martin, S, Monteiro, O.P, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-12-11
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
TO BE PUBLISHED
6CVZ
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BU of 6cvz by Molmil
Crystal structure of the WD40-repeat of RFWD3
分子名称: E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION
著者DONG, A, LOPPNAU, P, SEITOVA, A, HUTCHINSON, A, TEMPEL, W, WEI, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, TONG, Y, Structural Genomics Consortium (SGC)
登録日2018-03-29
公開日2018-06-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
5QQU
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BU of 5qqu by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854
分子名称: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
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
5QRB
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BU of 5qrb by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434868
分子名称: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4O61
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BU of 4o61 by Molmil
Structure of human ALKBH5 crystallized in the presence of citrate
分子名称: CITRIC ACID, GLYCEROL, RNA demethylase ALKBH5, ...
著者Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-20
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
6G4Q
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BU of 6g4q by Molmil
Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
分子名称: 1,2-ETHANEDIOL, Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, ...
著者Bailey, H.J, Shrestha, L, Rembeza, E, Sorrell, F.J, Newman, J, Strain-Damerell, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2018-03-28
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
To Be Published
5Q2F
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BU of 5q2f by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 7)
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 (1.47 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q3Q
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BU of 5q3q by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 54)
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 (1.39 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q45
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BU of 5q45 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 70)
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 (1.64 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q5M
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BU of 5q5m by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 123)
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 (1.57 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4RG1
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BU of 4rg1 by Molmil
Methyltransferase domain of C9orf114
分子名称: C9orf114, POLYETHYLENE GLYCOL (N=34), S-1,2-PROPANEDIOL, ...
著者Dong, A, Zeng, H, Walker, J.R, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Crystal Structure of Human C9orf114 in complex with S-adenosyl-homocysteine
To be Published
5EAR
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BU of 5ear by Molmil
Crystal structure of human WDR5 in complex with compound 9d
分子名称: 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ...
著者DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-16
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
4IIO
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BU of 4iio by Molmil
Crystal Structure of the Second SH3 Domain of ITSN2 Bound with a Synthetic Peptide
分子名称: CHLORIDE ION, Intersectin-2, SULFATE ION, ...
著者Dong, A, Guan, X, Huang, H, Gu, J, Tempel, W, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2012-12-20
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Second SH3 Domain of ITSN2 Bound with a Synthetic Peptide
TO BE PUBLISHED
5QST
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BU of 5qst by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438
分子名称: (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide, 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 (2.58 Å)
主引用文献PanDDA analysis group deposition
To Be Published

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