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6BMX
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BU of 6bmx by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP844
分子名称: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, GLYCEROL, PHOSPHATE ION, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMW
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BU of 6bmw by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504
分子名称: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
1RHG
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BU of 1rhg by Molmil
THE STRUCTURE OF GRANULOCYTE-COLONY-STIMULATING FACTOR AND ITS RELATIONSHIP TO THOSE OF OTHER GROWTH FACTORS
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Hill, C.P, Osslund, T.D, Eisenberg, D.
登録日1993-01-29
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of granulocyte-colony-stimulating factor and its relationship to other growth factors.
Proc.Natl.Acad.Sci.USA, 90, 1993
6BMY
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BU of 6bmy by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844
分子名称: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMR
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BU of 6bmr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP244
分子名称: 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, GLYCEROL, PHOSPHATE ION, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6CXC
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BU of 6cxc by Molmil
3.9A Cryo-EM structure of murine antibody bound at a novel epitope of respiratory syncytial virus fusion protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Envelope glycoprotein chimera, ...
著者Xie, Q, Wang, Z, Chen, X, Ni, F, Ma, J, Wang, Q.
登録日2018-04-02
公開日2019-07-31
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure basis of neutralization by a novel site II/IV antibody against respiratory syncytial virus fusion protein.
Plos One, 14, 2019
8D1P
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BU of 8d1p by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine
分子名称: 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D1Q
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BU of 8d1q by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 8-Aminoadenosine
分子名称: (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D20
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BU of 8d20 by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with 5'-Methylthioadenosine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D22
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BU of 8d22 by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with Piclidenoson
分子名称: Chaperone DnaK, Piclidenoson, SULFATE ION
著者Mrozek, A, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D1Y
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BU of 8d1y by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with Trans-Zeatin Riboside
分子名称: Chaperone DnaK, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, SULFATE ION
著者Mrozek, A, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D1S
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BU of 8d1s by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with Toyocamycin
分子名称: 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8D24
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BU of 8d24 by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008
分子名称: 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8EJB
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BU of 8ejb by Molmil
Bruton's tyrosine kinase in complex with 3-{[4-(1-acetylpiperidin-4-yl)phenyl]amino}-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
著者Gajewski, S, Clifton, M.C.
登録日2022-09-16
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NRX-0492 degrades wild-type and C481 mutant BTK and demonstrates in vivo activity in CLL patient-derived xenografts.
Blood, 141, 2023
5E8Y
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BU of 5e8y by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH STAUROSPORINE
分子名称: STAUROSPORINE, TGF-beta receptor type-2
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8U
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BU of 5e8u by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F)
分子名称: GLYCEROL, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E91
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BU of 5e91 by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH 3-AMINO-6-[4-(2- HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL] PYRAZINE-2-CARBOXAMIDE
分子名称: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-2
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8T
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BU of 5e8t by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D)
分子名称: GLYCEROL, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E90
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BU of 5e90 by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F) IN COMPLEX WITH 3-AMINO-6- [4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE
分子名称: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E92
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TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TGF-beta receptor type-2
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8S
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BU of 5e8s by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (WT)
分子名称: TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8Z
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BU of 5e8z by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 3-AMINO-6-[4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE
分子名称: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8W
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BU of 5e8w by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH STAUROSPORINE
分子名称: GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8V
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BU of 5e8v by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A)
分子名称: GLYCEROL, TGF-beta receptor type-2
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8X
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) IN COMPLEX WITH STAUROSPORINE
分子名称: GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016

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