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PDB: 4673 件
7G9P
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1619958679
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.743 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9N
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z57821475
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.422 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9U
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z55222357
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA7
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BU of 7ga7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z85933875
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6EIM
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BU of 6eim by Molmil
Human STK10 bound to GW683134A
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 10, ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide
著者Sorrell, F.J, Berger, B.-T, Salah, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
登録日2017-09-19
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Human STK10 bound to GW683134
To Be Published
5AHR
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BU of 5ahr by Molmil
Crystal structure of human DNA cross-link repair 1A, crystal form B
分子名称: 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION
著者Allerston, C.K, Newman, J.A, Vollmar, M, Goubin, S, Forese, D.S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2015-02-06
公開日2015-02-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities.
Nucleic Acids Res., 43, 2015
5APA
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BU of 5apa by Molmil
Crystal structure of human aspartate beta-hydroxylase isoform a
分子名称: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ...
著者Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
登録日2015-09-15
公開日2015-09-23
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
6R7O
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BU of 6r7o by Molmil
Crystal structure of the central region of human cohesin subunit STAG1
分子名称: Cohesin subunit SA-1
著者Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-03-29
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
3GVU
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BU of 3gvu by Molmil
The crystal structure of human ABL2 in complex with GLEEVEC
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Tyrosine-protein kinase ABL2
著者Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Filippakopoulos, P, Roos, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-03-31
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The crystal structure of human ABL2 in complex with GLEEVEC
To be Published
3H9F
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BU of 3h9f by Molmil
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand
分子名称: 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION
著者Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-04-30
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
6RRK
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BU of 6rrk by Molmil
Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide
分子名称: Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog
著者Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-20
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
3IR3
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BU of 3ir3 by Molmil
Crystal structure of human 3-hydroxyacyl-thioester dehydratase 2 (HTD2)
分子名称: 3-hydroxyacyl-thioester dehydratase 2, MALONATE ION
著者Ugochukwu, E, Cocking, R, Burgess-Brown, N, Pilka, E, Muniz, J, Krojer, T, Chaikuad, A, Gileadi, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-08-21
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structure of human 3-hydroxyacyl-thioester dehydratase 2 (HTD2)
To be Published
6FD3
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BU of 6fd3 by Molmil
Thiophosphorylated PAK3 kinase domain
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M.
登録日2017-12-21
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis.
Biochem.J., 476, 2019
2JK9
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BU of 2jk9 by Molmil
The structure of splA-ryanodine receptor domain and SOCS box containing 1 in complex with a PAR-4 peptide
分子名称: PRKC APOPTOSIS WT1 REGULATOR PROTEIN, SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN 1
著者Filippakopoulos, P, Bullock, A, Keates, T, Savitsky, P, Murray, J.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S.
登録日2008-08-22
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for Par-4 Recognition by the Spry Domain-and Socs Box-Containing Proteins Spsb1, Spsb2, and Spsb4.
J.Mol.Biol., 401, 2010
3IU5
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BU of 3iu5 by Molmil
Crystal structure of the first bromodomain of human poly-bromodomain containing protein 1 (PB1)
分子名称: Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-08-30
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
7A1F
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BU of 7a1f by Molmil
Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ...
著者Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-08-12
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
5AIL
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BU of 5ail by Molmil
Human PARP9 2nd macrodomain
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, POLY [ADP-RIBOSE] POLYMERASE 9, ...
著者Sieg, C, Shrestha, L, Talon, R, Sorrell, F, Williams, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
登録日2015-02-15
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Parp9 2Nd Macrodomain
To be Published
3HME
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BU of 3hme by Molmil
Crystal structure of human bromodomain containing 9 isoform 1 (BRD9)
分子名称: Bromodomain-containing protein 9
著者Filippakopoulos, P, Eswaran, J, Keates, T, Picaud, S, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-05-29
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2VUW
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BU of 2vuw by Molmil
Structure of human haspin kinase domain
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ...
著者Eswaran, J, Murray, J.W, Filippakopoulos, P, Soundararajan, M, Pike, A.C.W, von Delft, F, Picaud, S, Keates, T, King, O, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Fedorov, O, Burgess-Brown, N, Bray, J, Knapp, S.
登録日2008-05-30
公開日2008-09-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Functional Characterization of the Atypical Human Kinase Haspin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2NLK
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BU of 2nlk by Molmil
Crystal structure of D1 and D2 catalytic domains of human Protein Tyrosine Phosphatase Gamma (D1+D2 PTPRG)
分子名称: Protein tyrosine phosphatase, receptor type, G variant (Fragment)
著者Filippakopoulos, P, Gileadi, O, Johansson, C, Ugochukwu, E, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2006-10-20
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
5QXJ
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BU of 5qxj by Molmil
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC578
分子名称: (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
登録日2020-02-11
公開日2020-04-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
5QXI
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PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC587
分子名称: (4R,4aR,7aS,9R)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, 1,2-ETHANEDIOL, ...
著者Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
登録日2020-02-11
公開日2020-04-08
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 - Bromodomain of human ATAD2 fragment screening
To Be Published
5QXK
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PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC581
分子名称: (3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
登録日2020-02-11
公開日2020-04-08
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 - Bromodomain of human ATAD2 fragment screening
To Be Published
5QXM
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PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789
分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
著者Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
登録日2020-02-11
公開日2020-04-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
5QXL
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PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776
分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
著者Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
登録日2020-02-11
公開日2020-04-08
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 - Bromodomain of human ATAD2 fragment screening
To Be Published

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件を2024-07-31に公開中

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