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4N7R
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BU of 4n7r by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its binding protein
Descriptor: Genomic DNA, chromosome 3, P1 clone: MXL8, ...
Authors:Zhao, A, Fang, Y, Lin, Y, Gong, W, Liu, L.
Deposit date:2013-10-16
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its stimulator protein
Proc.Natl.Acad.Sci.USA, 111, 2014
7OIL
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BU of 7oil by Molmil
mPI3Kd in complex with compound 58
Descriptor: 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
Authors:Petersen, J.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OI4
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BU of 7oi4 by Molmil
mPI3Kd in complex with compound 12
Descriptor: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OIS
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BU of 7ois by Molmil
mPI3Kd in complex with compound 7
Descriptor: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
Authors:Petersen, J.
Deposit date:2021-05-12
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OIJ
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BU of 7oij by Molmil
mPI3Kd in complex with an inhibitor
Descriptor: 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ...
Authors:Petersen, J.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
4QDJ
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BU of 4qdj by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAM
Descriptor: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Chen, X, Wang, X, Liu, L.
Deposit date:2014-05-14
Release date:2014-08-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
4QDK
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BU of 4qdk by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAH
Descriptor: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, X, Wang, X, Liu, L.
Deposit date:2014-05-14
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
4PS4
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BU of 4ps4 by Molmil
Crystal structure of the complex between IL-13 and M1295 FAB
Descriptor: Interleukin-13, M1295 HEAVY CHAIN, M1295 LIGHT CHAIN
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2014-03-06
Release date:2014-03-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human Framework Adaptation of a Mouse Anti-Human Il-13 Antibody.
J.Mol.Biol., 398, 2010
9J0K
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BU of 9j0k by Molmil
An agonist(compound 14e)of Thyroid Hormone Receptor B
Descriptor: 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B, Li, Y.
Deposit date:2024-08-02
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
9IX5
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BU of 9ix5 by Molmil
An agonist(compound 15n) of Thyroid Hormone Receptor B
Descriptor: 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B, Li, Y.
Deposit date:2024-07-26
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
5JYK
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BU of 5jyk by Molmil
Deg9 crystal under 289K
Descriptor: GLYCEROL, Protease Do-like 9
Authors:Ouyang, M, Zhang, L.X.
Deposit date:2016-05-14
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
3L5W
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BU of 3l5w by Molmil
Crystal structure of the complex between IL-13 and C836 FAB
Descriptor: C836 HEAVY CHAIN, C836 LIGHT CHAIN, GLYCEROL, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
3L7F
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BU of 3l7f by Molmil
Structure of IL-13 antibody H2L6, A humanized variant OF C836
Descriptor: CALCIUM ION, H2L6 HEAVY CHAIN, H2L6 LIGHT CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-28
Release date:2010-11-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
3L5X
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BU of 3l5x by Molmil
Crystal structure of the complex between IL-13 and H2L6 FAB
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, H2L6 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
6U84
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BU of 6u84 by Molmil
Apo full-length rat TRPV2 in nanodiscs, state 1
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2019-09-04
Release date:2019-10-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
6U86
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BU of 6u86 by Molmil
Apo full-length rat TRPV2 in nanodiscs, state 2
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2019-09-04
Release date:2019-10-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
6U8A
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BU of 6u8a by Molmil
CBD-bound full-length rat TRPV2 in nanodiscs, state 1
Descriptor: Transient receptor potential cation channel subfamily V member 2, cannabidiol
Authors:Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2019-09-04
Release date:2019-10-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
6U88
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BU of 6u88 by Molmil
CBD-bound full-length rat TRPV2 in nanodiscs, state 2
Descriptor: Transient receptor potential cation channel subfamily V member 2, cannabidiol
Authors:Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2019-09-04
Release date:2019-10-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
5NCY
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BU of 5ncy by Molmil
mPI3Kd IN COMPLEX WITH inh1
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ...
Authors:Petersen, J.
Deposit date:2017-03-06
Release date:2017-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
5NCZ
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BU of 5ncz by Molmil
mPI3Kd IN COMPLEX WITH inh1
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J.
Deposit date:2017-03-06
Release date:2017-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
5XJ6
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BU of 5xj6 by Molmil
Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the glycerol 3-phosphate form
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glycerol-3-phosphate acyltransferase, PHOSPHATE ION, ...
Authors:Li, Z, Tang, Y, Li, D.
Deposit date:2017-04-30
Release date:2017-12-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insights into the committed step of bacterial phospholipid biosynthesis.
Nat Commun, 8, 2017
5XJ8
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BU of 5xj8 by Molmil
Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the lysphosphatidic acid form
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase, PHOSPHATE ION
Authors:Li, Z, Tang, Y, Li, D.
Deposit date:2017-04-30
Release date:2017-12-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural insights into the committed step of bacterial phospholipid biosynthesis.
Nat Commun, 8, 2017
5Y09
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BU of 5y09 by Molmil
Crystal structure of Deg9 at 295 K
Descriptor: Protease Do-like 9
Authors:Ouyang, M, Li, X.Y, Liu, L, Zhang, L.X.
Deposit date:2017-07-15
Release date:2017-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Crystal structure of Deg9 at 295 K
To Be Published

238582

数据于2025-07-09公开中

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