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8PQB
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c-KIT kinase domain in complex with avapritinib derivative 8
分子名称: (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit
著者Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQK
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APO crystal structure of PDGFRA-T674I kinase domain
分子名称: Platelet-derived growth factor receptor alpha
著者Teuber, A, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQD
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c-KIT kinase domain in complex with avapritinib derivative 10
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide
著者Teuber, A, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8P43
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Structure of the MHC class Ib molecule Qa-1b in complex with Q001 peptide
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Qa-1b, ...
著者Sala, B.M, Achour, A.
登録日2023-05-19
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献MHC-E is a convergent checkpoint ligand for LILRB1 on macrophages and during inflammation for NKG2A on lymphocytes
To Be Published
2IHB
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BU of 2ihb by Molmil
Crystal structure of the heterodimeric complex of human RGS10 and activated Gi alpha 3
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ...
著者Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Ugochukwu, E, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-09-26
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7NH5
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BU of 7nh5 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
分子名称: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2021-02-10
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
7NH4
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BU of 7nh4 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
分子名称: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2021-02-10
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
2XR6
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BU of 2xr6 by Molmil
Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic.
分子名称: 2-AZIDOETHANOL, CALCIUM ION, CD209 ANTIGEN, ...
著者Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F.
登録日2010-09-10
公開日2011-10-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Unique Dc-Sign Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design.
Acs Chem.Biol., 9, 2014
3FEH
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BU of 3feh by Molmil
Crystal structure of full length centaurin alpha-1
分子名称: Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION
著者Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-11-29
公開日2008-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
3F3S
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BU of 3f3s by Molmil
The Crystal Structure of Human Lambda-Crystallin, CRYL1
分子名称: CHLORIDE ION, GLYCEROL, Lambda-crystallin homolog, ...
著者Ugochukwu, E, Johansson, C, Yue, W.W, Kochan, G, Pilka, E, Kramm, A, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-10-31
公開日2008-11-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of Human Lambda-Crystallin, CRYL1
To be Published
3FLV
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BU of 3flv by Molmil
The crystal structure of human acyl-CoenzymeA binding domain containing 5
分子名称: Acyl-CoA-binding domain-containing protein 5, COENZYME A, STEARIC ACID, ...
著者Ugochukwu, E, Roos, A, Yue, W.W, Shafqat, N, Salah, E, Savitsky, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-12-19
公開日2009-02-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of human acyl-Coenzyme A binding domain containing 5
To be Published
4OZF
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BU of 4ozf by Molmil
JR5.1 protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ...
著者Petersen, J, Reid, H.H, Rossjohn, J.
登録日2014-02-15
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
2AQW
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BU of 2aqw by Molmil
Structure of putative orotidine-monophosphate-decarboxylase from Plasmodium yoelii (PY01515)
分子名称: IODIDE ION, SULFATE ION, putative orotidine-monophosphate-decarboxylase
著者Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2005-08-18
公開日2005-08-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
4OZI
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BU of 4ozi by Molmil
S2 protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HLA class II histocompatibility antigen, ...
著者Petersen, J, Reid, H.H, Rossjohn, J.
登録日2014-02-16
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
2AV4
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BU of 2av4 by Molmil
Crystal structure of Plasmodium yoelii thioredoxin-like protein 4A (DIM1)
分子名称: CHLORIDE ION, Thioredoxin-like protein 4A (DIM1)
著者Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J, Structural Genomics Consortium (SGC)
登録日2005-08-29
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2AIF
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BU of 2aif by Molmil
Crystal Structure of High Mobility Like Protein, NHP2, putative from Cryptosporidium parvum
分子名称: ribosomal protein L7A
著者Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Artz, J, Structural Genomics Consortium (SGC)
登録日2005-07-29
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
4OZG
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BU of 4ozg by Molmil
D2 protein complex
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Petersen, J, Reid, H.H, Rossjohn, J.
登録日2014-02-16
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
7RCB
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BU of 7rcb by Molmil
Crystal Structure of a PMS2 VUS
分子名称: Mismatch repair endonuclease PMS2
著者D'Arcy, B.M, Prakash, A.
登録日2021-07-07
公開日2022-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PMS2 variant results in loss of ATPase activity without compromising mismatch repair.
Mol Genet Genomic Med, 10, 2022
7RCI
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Crystal Structure of a PMS2 VUS with Substrate
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mismatch repair endonuclease PMS2
著者D'Arcy, B.M, Prakash, A.
登録日2021-07-07
公開日2022-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献PMS2 variant results in loss of ATPase activity without compromising mismatch repair.
Mol Genet Genomic Med, 10, 2022
7RCK
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BU of 7rck by Molmil
Crystal Structure of PMS2 with Substrate
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mismatch repair endonuclease PMS2
著者D'Arcy, B.M, Prakash, A.
登録日2021-07-07
公開日2022-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献PMS2 variant results in loss of ATPase activity without compromising mismatch repair.
Mol Genet Genomic Med, 10, 2022
2BDD
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BU of 2bdd by Molmil
Crystal Structure of Holo-ACP-synthase from Plasmodium yoelii
分子名称: ACP-synthase
著者Dong, A, Melone, M, Zhao, Y, Lew, J, Koeieradzki, I, Alam, Z, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2005-10-20
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2AMX
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BU of 2amx by Molmil
Crystal structure of Plasmodium Yoelii Adenosine deaminase (PY02076)
分子名称: COBALT (II) ION, UNKNOWN ATOM OR ION, adenosine deaminase
著者Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2005-08-10
公開日2005-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2B71
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Plasmodium yoelii cyclophilin-like protein
分子名称: CHLORIDE ION, cyclophilin-like protein
著者Dong, A, Finerty, P, Wasney, G, Vedadi, M, Lew, J, Zhao, Y, Kozieradzki, I, Melone, M, Alam, Z, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2005-10-03
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
1Z7D
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Ornithine aminotransferase PY00104 from Plasmodium Yoelii
分子名称: ornithine aminotransferase
著者Walker, J.R, Alam, Z, Amani, M, Lew, J, Wasney, G, Boulanger, K, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Hui, R, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2005-03-24
公開日2005-07-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
4OZH
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S16 protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Gliadin-alpha2 peptide, ...
著者Petersen, J, Reid, H.H, Rossjohn, J.
登録日2014-02-16
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014

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