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PDB: 758 件
5RL9
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BU of 5rl9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1703168683
分子名称: 1-(3-fluoro-4-methylphenyl)methanesulfonamide, 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 (1.788 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RLS
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BU of 5rls by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z59181945
分子名称: Helicase, N-hydroxyquinoline-2-carboxamide, 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 (2.278 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMD
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BU of 5rmd by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z57614330
分子名称: Helicase, N-ethyl-4-[(methylsulfonyl)amino]benzamide, 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 (1.92 Å)
主引用文献Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5ROB
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BU of 5rob by Molmil
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 helicase
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2020-09-22
公開日2021-03-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
6TT5
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BU of 6tt5 by Molmil
Crystal structure of DCLRE1C/Artemis
分子名称: 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ...
著者Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-12-23
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
6ELM
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BU of 6elm by Molmil
Crystal structure of the human WNK2 CCT1 domain
分子名称: Serine/threonine-protein kinase WNK2
著者Pinkas, D.M, Bufton, J.C, Newman, J.A, Chalk, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2017-09-29
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystal structure of the human WNK2 CCT1 domain
To Be Published
5HEM
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BU of 5hem by Molmil
Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 2, ...
著者Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
登録日2016-01-06
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
To Be Published
5HRV
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BU of 5hrv by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
分子名称: 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
著者Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
登録日2016-01-24
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
4UUC
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BU of 4uuc by Molmil
Crystal structure of human ASB11 ankyrin repeat domain
分子名称: ANKYRIN REPEAT AND SOCS BOX PROTEIN 11
著者Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A.
登録日2014-07-25
公開日2014-08-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
6EK6
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BU of 6ek6 by Molmil
Crystal structure of KDM5B in complex with S49195a.
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
著者Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-25
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of KDM5B in complex with S49195a.
To be published
2VPT
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BU of 2vpt by Molmil
Clostridium thermocellum family 3 carbohydrate esterase
分子名称: CALCIUM ION, LIPOLYTIC ENZYME
著者Correia, M.A.S, Prates, J.A.M, Bras, J, Fontes, C.M.G.A, Newman, J.A, Lewis, R.J, Gilbert, H.J, Flint, J.E.
登録日2008-03-04
公開日2008-05-06
最終更新日2012-01-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of a Cellulosomal Family 3 Carbohydrate Esterase from Clostridium Thermocellum Provides Insights Into the Mechanism of Substrate Recognition
J.Mol.Biol., 379, 2008
8C8S
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BU of 8c8s by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
分子名称: (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-20
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
To Be Published
8C8B
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BU of 8c8b by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48).
分子名称: 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-19
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
To Be Published
8C8D
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BU of 8c8d by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
分子名称: (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-19
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
To Be Published
6HRL
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BU of 6hrl by Molmil
Crystal structure of the Kelch domain of human KLHL17
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 17, ...
著者Chen, Z, Williams, E, Sorrell, F.J, Newman, J.A, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, F, Edwards, C.H, Bountra, C, Bullock, A.N.
登録日2018-09-27
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the Kelch domain of human KLHL17
To Be Published
6IBE
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BU of 6ibe by Molmil
The FERM domain of Human EPB41L3
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Band 4.1-like protein 3
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2018-11-29
公開日2018-12-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The FERM domain of Human EPB41L3
To Be Published
6XTJ
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BU of 6xtj by Molmil
The high resolution structure of the FERM domain of human FERMT2
分子名称: CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-01-16
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The high resolution structure of the FERM domain of human FERMT2
To Be Published
3K92
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BU of 3k92 by Molmil
Crystal structure of a E93K mutant of the majour Bacillus subtilis glutamate dehydrogenase RocG
分子名称: DI(HYDROXYETHYL)ETHER, NAD-specific glutamate dehydrogenase
著者Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J.
登録日2009-10-15
公開日2010-06-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties
J.Mol.Biol., 400, 2010
3K8Z
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BU of 3k8z by Molmil
Crystal Structure of Gudb1 a decryptified secondary glutamate dehydrogenase from B. subtilis
分子名称: NAD-specific glutamate dehydrogenase
著者Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J.
登録日2009-10-15
公開日2010-06-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties
J.Mol.Biol., 400, 2010
7AFS
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BU of 7afs by Molmil
The structure of Artemis variant D37A
分子名称: 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ...
著者Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
登録日2020-09-20
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7AGI
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BU of 7agi by Molmil
The structure of Artemis variant H35D
分子名称: 1,2-ETHANEDIOL, Protein artemis, ZINC ION
著者Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
登録日2020-09-22
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7APV
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BU of 7apv by Molmil
Structure of Artemis/DCLRE1C/SNM1C in complex with Ceftriaxone
分子名称: 1,2-ETHANEDIOL, Ceftriaxone, NICKEL (II) ION, ...
著者Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
登録日2020-10-20
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7AF1
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BU of 7af1 by Molmil
The structure of Artemis/SNM1C/DCLRE1C with 2 Zinc ions
分子名称: 1,2-ETHANEDIOL, Protein artemis, ZINC ION
著者Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
登録日2020-09-19
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7AFU
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BU of 7afu by Molmil
The structure of Artemis variant H33A
分子名称: 1,2-ETHANEDIOL, Protein artemis, ZINC ION
著者Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
登録日2020-09-20
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7ZMO
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BU of 7zmo by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-052
分子名称: ATP-dependent DNA helicase Q5, Gluebody G3-052, SULFATE ION, ...
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published

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件を2024-07-31に公開中

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