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7U9J
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BU of 7u9j by Molmil
Crystal structure of Mesothelin-207 fragment
分子名称: GLYCEROL, Isoform 3 of Mesothelin, SULFATE ION
著者Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D.
登録日2022-03-10
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies.
Cancer Res Commun, 3, 2023
7UED
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BU of 7ued by Molmil
Crystal structure of full length mesothelin bound with MORAb-009 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Isoform 4 of Mesothelin, ...
著者Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D.
登録日2022-03-21
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies.
Cancer Res Commun, 3, 2023
8U37
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BU of 8u37 by Molmil
Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with NVP-CJL037 at 2.48-A resolution
分子名称: (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide, MAGNESIUM ION, Protein kinase C alpha type
著者Romanowski, M.J, Lam, J, Visser, M.
登録日2023-09-07
公開日2024-01-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
8UAK
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BU of 8uak by Molmil
Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution
分子名称: (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type
著者Romanowski, M.J, Lam, J, Visser, M.
登録日2023-09-21
公開日2024-01-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
3GZ9
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BU of 3gz9 by Molmil
Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex with a Full Agonist
分子名称: (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2009-04-06
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3H0A
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BU of 3h0a by Molmil
Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist
分子名称: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 1, Co-activator Peptide, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2009-04-08
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
8IAZ
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BU of 8iaz by Molmil
Cryo-EM structure of the ISFba1 TnpB-reRNA-dsDNA complex
分子名称: DNA (5'-D(P*AP*CP*AP*TP*GP*GP*AP*CP*CP*AP*TP*CP*AP*GP*CP*TP*CP*CP*TP*AP*AP*TP*GP*G)-3'), DNA (5'-D(P*CP*CP*AP*TP*TP*AP*GP*GP*AP*GP*CP*TP*GP*AP*TP*G)-3'), RNA (207-MER), ...
著者Yin, M, Zhou, F, Zhu, Y, Huang, Z.
登録日2023-02-09
公開日2024-04-17
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Discovery and structural mechanism of DNA endonucleases guided by RAGATH-18-derived RNAs.
Cell Res., 34, 2024
8KAE
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BU of 8kae by Molmil
16d-bound human SPNS2
分子名称: 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, NbFab chain L, NbFab-H chain, ...
著者He, Y, Duan, Y.
登録日2023-08-03
公開日2024-01-03
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
3E64
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BU of 3e64 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E63
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BU of 3e63 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E62
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BU of 3e62 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4QMK
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BU of 4qmk by Molmil
Crystal structure of type III effector protein ExoU (exoU)
分子名称: BETA-MERCAPTOETHANOL, Type III secretion system effector protein ExoU
著者Halavaty, A.S, Tyson, G.H, Zhang, A, Hauser, A.R, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-06-16
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Novel Phosphatidylinositol 4,5-Bisphosphate Binding Domain Mediates Plasma Membrane Localization of ExoU and Other Patatin-like Phospholipases.
J.Biol.Chem., 290, 2015
7KPG
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BU of 7kpg by Molmil
Blocking Fab 25 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Heavy chain of Fab 25 anti-SIRP-alpha antibody, Light chain of Fab 25 anti-SIRP-alpha antibody, SULFATE ION, ...
著者Sim, J, Pons, J.
登録日2020-11-11
公開日2020-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Targeting the myeloid checkpoint receptor SIRP alpha potentiates innate and adaptive immune responses to promote anti-tumor activity.
J Hematol Oncol, 13, 2020
7WET
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BU of 7wet by Molmil
Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela
分子名称: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1
著者Zhang, H, Luo, C.
登録日2021-12-24
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
7WEU
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BU of 7weu by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-048
分子名称: Peroxiredoxin-1, UNKNOWN LIGAND
著者Zhang, H, Luo, C.
登録日2021-12-24
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
7WSO
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BU of 7wso by Molmil
Structure of a membrane protein G
分子名称: B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, Immunoglobulin heavy constant gamma 1
著者Ma, X, Zhu, Y, Chen, Y, Huang, Z.
登録日2022-01-30
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Cryo-EM structures of two human B cell receptor isotypes.
Science, 377, 2022
7XT6
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BU of 7xt6 by Molmil
Structure of a membrane protein M3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, ...
著者Ma, X, Zhu, Y, Chen, Y, Huang, Z.
登録日2022-05-16
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Cryo-EM structures of two human B cell receptor isotypes.
Science, 377, 2022
8KGG
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BU of 8kgg by Molmil
LPS-bound P2Y10 in complex with G13
分子名称: (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者He, Y, Yin, Y.
登録日2023-08-19
公開日2024-07-31
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Insights into lysophosphatidylserine recognition and G alpha 12/13 -coupling specificity of P2Y10.
Cell Chem Biol, 2024
8IYS
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BU of 8iys by Molmil
TUG891-bound FFAR4 in complex with Gq
分子名称: 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, GUANOSINE-5'-DIPHOSPHATE, ...
著者He, Y, Yin, H.
登録日2023-04-06
公開日2023-06-21
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis of omega-3 fatty acid receptor FFAR4 activation and G protein coupling selectivity.
Cell Res., 33, 2023
7YUB
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BU of 7yub by Molmil
S1P-bound human SPNS2
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, NbFab-H-chain, NbFab-L-chain, ...
著者He, Y, Duan, Y.
登録日2022-08-17
公開日2023-09-06
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
8HSI
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BU of 8hsi by Molmil
Cryo-EM structure of human TMEM87A, PE-bound
分子名称: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Han, A, Kim, H.M.
登録日2022-12-19
公開日2023-12-27
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献GolpHCat (TMEM87A), a unique voltage-dependent cation channel in Golgi apparatus, contributes to Golgi-pH maintenance and hippocampus-dependent memory.
Nat Commun, 15, 2024
8HTT
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BU of 8htt by Molmil
Cryo-EM structure of human TMEM87A, gluconate-bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-gluconic acid, Transmembrane protein 87A,EGFP, ...
著者Han, A, Kim, H.M.
登録日2022-12-21
公開日2023-12-27
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献GolpHCat (TMEM87A), a unique voltage-dependent cation channel in Golgi apparatus, contributes to Golgi-pH maintenance and hippocampus-dependent memory.
Nat Commun, 15, 2024
8KB4
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BU of 8kb4 by Molmil
Cryo-EM structure of human TMEM87A A308M
分子名称: (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 87A,EGFP
著者Han, A, Kim, H.M.
登録日2023-08-03
公開日2024-07-10
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献GolpHCat (TMEM87A), a unique voltage-dependent cation channel in Golgi apparatus, contributes to Golgi-pH maintenance and hippocampus-dependent memory.
Nat Commun, 15, 2024
3TKT
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BU of 3tkt by Molmil
Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z.
登録日2011-08-29
公開日2012-02-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
7WZ7
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BU of 7wz7 by Molmil
GPR110/G12 complex
分子名称: Adhesion G-protein coupled receptor F1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者He, Y, Zhu, X.
登録日2022-02-17
公開日2022-09-28
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022

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