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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
6ES0
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BU of 6es0 by Molmil
Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35
分子名称: 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2
著者Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N.
登録日2017-10-19
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6QZL
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BU of 6qzl by Molmil
Structure of the H1 domain of human KCTD12
分子名称: BTB/POZ domain-containing protein KCTD12
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
登録日2019-03-11
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of the H1 domain of human KCTD12
To be published
6S4L
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BU of 6s4l by Molmil
Structure of human KCTD1
分子名称: BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N.
登録日2019-06-28
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure of human KCTD1
To be published
6FBK
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BU of 6fbk by Molmil
Crystal structure of the human WNK2 CCT-like 1 domain in complex with a WNK1 RFXV peptide
分子名称: Serine/threonine-protein kinase WNK1, Serine/threonine-protein kinase WNK2
著者Pinkas, D.M, Bufton, J.C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2017-12-19
公開日2018-01-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.743 Å)
主引用文献Crystal structure of the human WNK2 CCT-like 1 domain in complex with a WNK1 RFXV peptide
To Be Published
6S1F
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BU of 6s1f by Molmil
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3
分子名称: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
著者Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-06-18
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors
To be published
5QHP
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BU of 5qhp by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000554a
分子名称: 1,2-ETHANEDIOL, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHL
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BU of 5qhl by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000551a
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B, ...
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHR
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BU of 5qhr by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000635a
分子名称: 1,2-ETHANEDIOL, N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
4UIJ
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BU of 4uij by Molmil
Crystal structure of the BTB domain of KCTD13
分子名称: BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 1, CHLORIDE ION
著者Pinkas, D.M, Sanvitale, C.E, Sorell, F.J, Solcan, N, Goubin, S, Canning, P, Williams, E, Chaikuad, A, Dixon Clarke, S.E, Tallant, C, Fonseca, M, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-03-30
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
6CP9
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BU of 6cp9 by Molmil
Contact-dependent growth inhibition toxin - immunity protein complex from Klebsiella pneumoniae 342
分子名称: CdiA, CdiI
著者Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
登録日2018-03-13
公開日2019-03-13
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Structure, 27, 2019
8COI
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BU of 8coi by Molmil
Human adenovirus-derived synthetic ADDobody binder
分子名称: ADDobody
著者Buzas, D, Toelzer, C, Gupta, K, Berger-Schaffitzel, C, Berger, I.
登録日2023-02-28
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
7BCM
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BU of 7bcm by Molmil
The DDR1 Kinase Domain Bound To SR302
分子名称: Epithelial discoidin domain-containing receptor 1, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
著者Mathea, S, Chatterjee, D, Preuss, F, Roehm, S, Joerger, A, Knapp, S.
登録日2020-12-20
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
7BDQ
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BU of 7bdq by Molmil
MAPK14 bound with SR300
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
著者Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-12-22
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
7BE4
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BU of 7be4 by Molmil
Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159
分子名称: 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-12-22
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
7BE5
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BU of 7be5 by Molmil
Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-12-22
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8000524 Å)
主引用文献Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
7BDO
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BU of 7bdo by Molmil
MAPK14 bound with SR302
分子名称: Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
著者Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-12-22
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
8QBX
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BU of 8qbx by Molmil
Chimeric Adenovirus-derived dodecamer
分子名称: Penton protein
著者Buzas, D, Borucu, U, Bufton, J, Kapadalakere, S.Y, Toelzer, C.
登録日2023-08-25
公開日2023-12-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
4CRH
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BU of 4crh by Molmil
Crystal structure of the BTB-T1 domain of human SHKBP1
分子名称: SH3KBP1-BINDING PROTEIN 1
著者Pinkas, D.M, Solcan, N, Krojer, T, Goubin, S, Williams, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-02-26
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
6G57
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BU of 6g57 by Molmil
Structure of the H1 domain of human KCTD8
分子名称: BTB/POZ domain-containing protein KCTD8
著者Pinkas, D.M, Bufton, J.C, Strain-Damerell, C.M, Fairhead, M, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-03-29
公開日2019-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the H1 domain of human KCTD8
To Be Published
5A15
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BU of 5a15 by Molmil
Crystal structure of the BTB domain of human KCTD16
分子名称: BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16
著者Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Canning, P, Dixon Clarke, S.E, Talon, R, Wiggers, H.J, Fitzpatrick, F, Tallant, C, Kopec, J, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-04-28
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
5A6R
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BU of 5a6r by Molmil
Crystal structure of the BTB domain of human KCTD17
分子名称: BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17
著者Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-06-30
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
5FTA
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BU of 5fta by Molmil
Crystal structure of the N-terminal BTB domain of human KCTD10
分子名称: BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 3, MERCURY (II) ION
著者Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Tallant, C, Newman, J.A, Kopec, J, Fitzpatrick, F, Talon, R, Collins, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2016-01-12
公開日2016-02-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
8QB3
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BU of 8qb3 by Molmil
ADDobody zinc containing condition
分子名称: ADDobody, ZINC ION
著者Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C.
登録日2023-08-24
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
8PNR
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BU of 8pnr by Molmil
Structure of human KCTD15 BTB domain mutant G88D crystal form 1
分子名称: BTB/POZ domain-containing protein KCTD15
著者Cruz Walma, D.A, Cros, J, Bradshaw, W, Richardson, W, Chen, Z, Chalk, R, Wilkie, A, Bullock, A.N.
登録日2023-06-30
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献BTB domain mutations perturbing KCTD15 oligomerisation cause a distinctive frontonasal dysplasia syndrome.
J Med Genet, 61, 2024

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