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8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
4ZHW
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BU of 4zhw by Molmil
Crystal structure of a bacterial signalling protein (N-terminal truncation)
分子名称: YfiB
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4ZHY
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BU of 4zhy by Molmil
Crystal structure of a bacterial signalling complex
分子名称: FORMIC ACID, SULFATE ION, YfiB, ...
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4ZHV
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BU of 4zhv by Molmil
Crystal structure of a bacterial signalling protein
分子名称: SULFATE ION, YfiB
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.585 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4ZHU
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BU of 4zhu by Molmil
Crystal structure of a bacterial repressor protein
分子名称: SULFATE ION, YfiR
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
実験手法X-RAY DIFFRACTION (2.3968 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
7XQV
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BU of 7xqv by Molmil
The complex of nanobody Rh57 binding to GTP-bound RhoA active form
分子名称: ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zhang, Y.R, Liu, R, Ding, Y.
登録日2022-05-09
公開日2022-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural insights into the binding of nanobody Rh57 to active RhoA-GTP.
Biochem.Biophys.Res.Commun., 616, 2022
7Y43
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BU of 7y43 by Molmil
Crystal structure of the KAT6A WH domain and its bound double stranded DNA
分子名称: DNA (5'-D(*GP*GP*AP*GP*TP*GP*CP*GP*CP*AP*CP*TP*CP*C)-3'), Histone acetyltransferase KAT6A, MAGNESIUM ION
著者Wang, Z, Jia, Y.
登録日2022-06-13
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The histone acetyltransferase KAT6A is recruited to unmethylated CpG islands via a DNA binding winged helix domain.
Nucleic Acids Res., 51, 2023
5YKR
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BU of 5ykr by Molmil
Crystal structure of a glutamate-1-semialdehyde-aminomutase from Pseudomonas aeruginosa PAO1
分子名称: Probable aminotransferase
著者Li, S, Zhang, Q, Bartlam, M.
登録日2017-10-16
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structure of a glutamate-1-semialdehyde-aminomutase from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 500, 2018
5YKT
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BU of 5ykt by Molmil
Crystal structure of a glutamate-1-semialdehyde-aminomutase (K286A) from Pseudomonas aeruginosa PAO1 in complex with PMP
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLYCEROL, Probable aminotransferase
著者Li, S, Zhang, Q, Bartlam, M.
登録日2017-10-16
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structure of a glutamate-1-semialdehyde-aminomutase from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 500, 2018
8DVH
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BU of 8dvh by Molmil
Crystal structure of ATP-dependent Lon protease from Bacillus subtillis (BsLonBA)
分子名称: Lon protease 2, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, SODIUM ION
著者Sekula, B, Li, M, Gustchina, A, Wlodawer, A.
登録日2022-07-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unique Structural Fold of LonBA Protease from Bacillus subtilis, a Member of a Newly Identified Subfamily of Lon Proteases.
Int J Mol Sci, 23, 2022
8QN7
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BU of 8qn7 by Molmil
Amyloid-beta 40 type 1 filament from the leptomeninges of individual with Alzheimer's disease and cerebral amyloid angiopathy
分子名称: Amyloid-beta A4 protein
著者Yang, Y, Murzin, A.S, Peak-Chew, S.Y, Franco, C, Newell, K.L, Ghetti, B, Goedert, M, Scheres, S.H.W.
登録日2023-09-25
公開日2023-12-13
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures of A beta 40 filaments from the leptomeninges of individuals with Alzheimer's disease and cerebral amyloid angiopathy.
Acta Neuropathol Commun, 11, 2023
8QN6
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BU of 8qn6 by Molmil
Amyloid-beta 40 type 2 filament from the leptomeninges of individual with Alzheimer's disease and cerebral amyloid angiopathy
分子名称: Amyloid-beta A4 protein
著者Yang, Y, Murzin, A.S, Peak-Chew, S.Y, Franco, C, Newell, K.L, Ghetti, B, Goedert, M, Scheres, S.H.W.
登録日2023-09-25
公開日2023-12-13
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Cryo-EM structures of A beta 40 filaments from the leptomeninges of individuals with Alzheimer's disease and cerebral amyloid angiopathy.
Acta Neuropathol Commun, 11, 2023
7ACF
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BU of 7acf by Molmil
CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
分子名称: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D.
登録日2020-09-10
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers.
Proc. Natl. Acad. Sci. U.S.A., 117, 2020
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
7M2G
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BU of 7m2g by Molmil
INTERLEUKIN-2 (human) mutant P65K, C125S
分子名称: GLYCEROL, Interleukin-2, SULFATE ION
著者Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M.
登録日2021-03-16
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism.
Nat Commun, 12, 2021
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
分子名称: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
8G05
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BU of 8g05 by Molmil
Cryo-EM structure of an orphan GPCR-Gi protein signaling complex
分子名称: 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ...
著者Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C.
登録日2023-01-31
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Pro-phagocytic function and structural basis of GPR84 signaling.
Nat Commun, 14, 2023
7N6W
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BU of 7n6w by Molmil
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, S, Wang, K, Mao, Y.
登録日2021-06-09
公開日2021-09-22
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
7N6U
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BU of 7n6u by Molmil
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, S, Wang, K, Mao, Y.
登録日2021-06-09
公開日2021-09-22
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021

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