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8OIZ
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BU of 8oiz by Molmil
Crystal structure of human CRBN-DDB1 in complex with Pomalidomide
分子名称: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
著者Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M.
登録日2023-03-23
公開日2023-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
8OJH
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BU of 8ojh by Molmil
Crystal structure of human CRBN-DDB1 in complex with compound 4
分子名称: 1,2-ETHANEDIOL, 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione, DNA damage-binding protein 1, ...
著者Cabry, M.P, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2023-03-24
公開日2023-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
4ZLP
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BU of 4zlp by Molmil
Crystal Structure of Notch3 Negative Regulatory Region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Xu, X, Blacklow, S.C.
登録日2015-05-01
公開日2015-08-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.479 Å)
主引用文献Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region.
Structure, 23, 2015
5CZV
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BU of 5czv by Molmil
Crystal structure of Notch3 NRR in complex with 20350 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fab 20350 heavy chain, ...
著者Hu, T, Fryer, C, Chopra, R, Clark, K.
登録日2015-08-01
公開日2016-06-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Characterization of activating mutations of NOTCH3 in T-cell acute lymphoblastic leukemia and anti-leukemic activity of NOTCH3 inhibitory antibodies.
Oncogene, 35, 2016
6CRF
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BU of 6crf by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in the Open Conformation
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2018-03-17
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
5IBS
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BU of 5ibs by Molmil
Structure of E76Q, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R.
登録日2016-02-22
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016
5I6V
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BU of 5i6v by Molmil
Structure of F285S, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Xu, X, Blacklow, S.C.
登録日2016-02-16
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016
5IBM
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BU of 5ibm by Molmil
Structure of S502P, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R.
登録日2016-02-22
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016
6CRG
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BU of 6crg by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in complex with SHP099
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, SULFATE ION, ...
著者Stams, T, Fodor, M.
登録日2018-03-17
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
3FY1
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BU of 3fy1 by Molmil
The Acidic Mammalian Chitinase catalytic domain in complex with methylallosamidin
分子名称: 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Acidic mammalian chitinase
著者Olland, A.M.
登録日2009-01-21
公開日2009-03-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Triad of polar residues implicated in pH specificity of acidic mammalian chitinase.
Protein Sci., 18, 2009
3LHG
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BU of 3lhg by Molmil
Bace1 in complex with the aminohydantoin Compound 4g
分子名称: (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2010-01-22
公開日2010-04-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3V81
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BU of 3v81 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-22
公開日2012-01-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8503 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3IN4
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BU of 3in4 by Molmil
Bace1 with Compound 38
分子名称: (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2009-08-11
公開日2010-01-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3IN3
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BU of 3in3 by Molmil
Bace1 with Compound 30
分子名称: (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2009-08-11
公開日2010-01-19
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3V4I
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BU of 3v4i by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and AZTTP
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-15
公開日2012-01-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7983 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3V6D
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BU of 3v6d by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) cross-linked with AZT-terminated DNA
分子名称: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-19
公開日2012-01-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7048 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
5CZX
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BU of 5czx by Molmil
Crystal structure of Notch3 NRR in complex with 20358 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 20358 Fab heavy chain, ...
著者Hu, T, Fryer, C, Chopra, R, Clark, K.
登録日2015-08-01
公開日2016-06-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization of activating mutations of NOTCH3 in T-cell acute lymphoblastic leukemia and anti-leukemic activity of NOTCH3 inhibitory antibodies.
Oncogene, 35, 2016
8VDV
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BU of 8vdv by Molmil
pcsk9 in complex with inhibitor
分子名称: Inhibitor YBX-PHE-VAL-GLY-THR-THR-PHA-MAA-BIF-EME-NEH, Proprotein convertase subtilisin/kexin type 9
著者Xu, M, Chopra, R.
登録日2023-12-18
公開日2025-03-26
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献PCSK9 in complex with inhibitor
To Be Published
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件を2025-07-09に公開中

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