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1T09
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BU of 1t09 by Molmil
Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex NADP
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J.
登録日2004-04-08
公開日2004-06-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity
J.Biol.Chem., 279, 2004
1T0L
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BU of 1t0l by Molmil
Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP, isocitrate, and calcium(2+)
分子名称: CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J.
登録日2004-04-10
公開日2004-06-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity
J.Biol.Chem., 279, 2004
2H07
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BU of 2h07 by Molmil
crystal structure of human phosphoribosyl pyrophosphate synthetase 1 mutant S132A
分子名称: Ribose-phosphate pyrophosphokinase I, SULFATE ION
著者Li, S, Peng, B, Ding, J.
登録日2006-05-14
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human phosphoribosylpyrophosphate synthetase 1 reveals a novel allosteric site
Biochem.J., 401, 2007
2H08
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BU of 2h08 by Molmil
crystal structure of human phosphoribosyl pyrophosphate synthetase 1 mutant Y146M
分子名称: Ribose-phosphate pyrophosphokinase I, SULFATE ION
著者Li, S, Peng, B, Ding, J.
登録日2006-05-14
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human phosphoribosylpyrophosphate synthetase 1 reveals a novel allosteric site
Biochem.J., 401, 2007
2HCR
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BU of 2hcr by Molmil
crystal structure of human phosphoribosyl pyrophosphate synthetase 1 in complex with AMP(ATP), cadmium and sulfate ion
分子名称: ADENOSINE MONOPHOSPHATE, CADMIUM ION, Ribose-phosphate pyrophosphokinase I, ...
著者Li, S, Peng, B, Ding, J.
登録日2006-06-18
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human phosphoribosylpyrophosphate synthetase 1 reveals a novel allosteric site
Biochem.J., 401, 2007
2H06
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BU of 2h06 by Molmil
Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
分子名称: Ribose-phosphate pyrophosphokinase I, SULFATE ION
著者Li, S, Peng, B, Ding, J.
登録日2006-05-14
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human phosphoribosylpyrophosphate synthetase 1 reveals a novel allosteric site
Biochem.J., 401, 2007
7X8G
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BU of 7x8g by Molmil
Crystal structure of ENL T1(H116P) mutant YEATS domain in complex with histone H3 acetylation at K27
分子名称: H3K27ac(24-27) peptide, Protein ENL
著者Li, Y, Peng, B, Li, H.
登録日2022-03-12
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
7X8B
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BU of 7x8b by Molmil
Crystal structure of ENL T1 mutant YEATS domain in complex with histone H3 acetylation at K27
分子名称: H3K27ac(24-27) peptide, Protein ENL
著者Li, Y, Peng, B, Li, H.
登録日2022-03-11
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
7X8F
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BU of 7x8f by Molmil
Crystal structure of ENL T4 mutant YEATS domain in complex with histone H3 acetylation at K27
分子名称: CHLORIDE ION, H3K27ac(24-27) peptide, Protein ENL
著者Li, Y, Peng, B, Li, H.
登録日2022-03-12
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
5LXP
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BU of 5lxp by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H5
分子名称: Poly [ADP-ribose] polymerase 14, ~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide
著者Karlberg, T, Thorsell, A.G, Schuler, H.
登録日2016-09-22
公開日2016-12-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Small Molecule Microarray Based Discovery of PARP14 Inhibitors.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LYH
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BU of 5lyh by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H10
分子名称: 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Thorsell, A.G, Schuler, H.
登録日2016-09-28
公開日2016-12-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Small Molecule Microarray Based Discovery of PARP14 Inhibitors.
Angew. Chem. Int. Ed. Engl., 56, 2017
6VIO
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BU of 6vio by Molmil
Crystal structure of eYFP His148Ser
分子名称: Green fluorescent protein GFP
著者Lieberman, R.L, Hill, S.E, Patterson-Orazem, A.C.
登録日2020-01-13
公開日2021-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Optically Modulated and Optically Activated Delayed Fluorescent Proteins through Dark State Engineering
J.Phys.Chem.B, 125, 2021
8B35
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BU of 8b35 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and naringenin
分子名称: COENZYME A, Chalcone synthase 2, NARINGENIN
著者Zhang, L, Groves, M.R.
登録日2022-09-15
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B32
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BU of 8b32 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA
分子名称: COENZYME A, Chalcone synthase 2
著者Zhang, L, Groves, M.R.
登録日2022-09-15
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B3C
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BU of 8b3c by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol
分子名称: (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2
著者Zhang, L, Groves, M.R.
登録日2022-09-16
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
5ECE
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BU of 5ece by Molmil
Tankyrase 1 with Phthalazinone 1
分子名称: 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ...
著者Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D.
登録日2015-10-20
公開日2015-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
3BKY
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BU of 3bky by Molmil
Crystal Structure of Chimeric Antibody C2H7 Fab in complex with a CD20 Peptide
分子名称: B-lymphocyte antigen CD20, the Fab fragment of chimeric 2H7, heavy chain, ...
著者Du, J, Zhong, C, Ding, J.
登録日2007-12-07
公開日2008-04-29
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of chimeric antibody C2H7 Fab in complex with a CD20 peptide
Mol.Immunol., 45, 2008
6ZOQ
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BU of 6zoq by Molmil
Oestrogen receptor ligand binding domain in complex with compound 16
分子名称: Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine
著者Breed, J.
登録日2020-07-07
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
6ZOS
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BU of 6zos by Molmil
Oestrogen receptor ligand binding domain in complex with compound 18
分子名称: 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor
著者Breed, J.
登録日2020-07-07
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
6ZOR
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BU of 6zor by Molmil
Oestrogen receptor ligand binding domain in complex with compound 28
分子名称: 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor
著者Breed, J.
登録日2020-07-07
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
2OSL
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BU of 2osl by Molmil
Crystal structure of Rituximab Fab in complex with an epitope peptide
分子名称: B-lymphocyte antigen CD20, heavy chain of the Rituximab Fab fragment,heavy chain of the Rituximab Fab fragment, light chain of the Rituximab Fab fragment,light chain of the Rituximab Fab fragment
著者Du, J, Zhong, C, Ding, J.
登録日2007-02-06
公開日2007-04-10
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for recognition of CD20 by therapeutic antibody Rituximab
J.Biol.Chem., 282, 2007
6FS1
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BU of 6fs1 by Molmil
MCL1 in complex with an indole acid ligand
分子名称: 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Kasmirski, S, Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS2
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MCL1 in complex with indole acid ligand
分子名称: 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS0
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INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH AZD5991
分子名称: AZD5991, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
3IU3
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BU of 3iu3 by Molmil
Crystal structure of the Fab fragment of therapeutic antibody Basiliximab in complex with IL-2Ra (CD25) ectodomain
分子名称: Heavy chain of Fab fragment of Basiliximab, Interleukin-2 receptor alpha chain, Light chain of Fab fragment of Basiliximab, ...
著者Du, J, Yang, H, Wang, J, Ding, J.
登録日2009-08-29
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for the blockage of IL-2 signaling by therapeutic antibody basiliximab
J.Immunol., 184, 2010

 

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