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8AHF
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BU of 8ahf by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
5ET0
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BU of 5et0 by Molmil
Crystal structure of Myo3b-ARB2 in complex with Espin1-AR
Descriptor: Espin, Myosin-IIIb
Authors:Liu, H, Li, J, Liu, W, Zhang, M.
Deposit date:2015-11-17
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
8AHH
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BU of 8ahh by Molmil
PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
5ET1
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BU of 5et1 by Molmil
Crystal structure of Myo3b-ARB1 in complex with Espin1-AR
Descriptor: Espin, GLYCEROL, Myosin-IIIb
Authors:Liu, H, Li, J, liu, W, Zhang, M.
Deposit date:2015-11-17
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
3Q0Z
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BU of 3q0z by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, RNA-directed RNA polymerase, SULFATE ION
Authors:Sheriff, S.
Deposit date:2010-12-16
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus.
Bioorg.Med.Chem.Lett., 21, 2011
6N1O
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BU of 6n1o by Molmil
Oxidized rat cytochrome c mutant (S47E)
Descriptor: 1,2-ETHANEDIOL, Cytochrome c, somatic, ...
Authors:Huttemann, M, Edwards, B.F.P.
Deposit date:2018-11-09
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Serine-47 phosphorylation of cytochromecin the mammalian brain regulates cytochromecoxidase and caspase-3 activity.
Faseb J., 33, 2019
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
Descriptor: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB7
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BU of 5vb7 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide
Descriptor: N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB6
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BU of 5vb6 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB5
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BU of 5vb5 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5ZZ9
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BU of 5zz9 by Molmil
Crystal structure of Homer2 EVH1/Drebrin PPXXF complex
Descriptor: Homer protein homolog 2, Peptide from Drebrin
Authors:Li, Z, Liu, H, Li, J, Liu, W, Zhang, M.
Deposit date:2018-05-31
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Homer Tetramer Promotes Actin Bundling Activity of Drebrin.
Structure, 27, 2019
6LS5
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BU of 6ls5 by Molmil
Structure of human liver FBPase complexed with covalent allosteric inhibitor
Descriptor: 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W.
Deposit date:2020-01-17
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction.
J.Med.Chem., 63, 2020
7CQP
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BU of 7cqp by Molmil
Complex of TRPC4 and Calmodulin_Nlobe
Descriptor: CALCIUM ION, Calmodulin-1, Peptide from Short transient receptor potential channel 4
Authors:Shen, Z.S.
Deposit date:2020-08-11
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
7CQV
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BU of 7cqv by Molmil
Complex of TRP_CBS1 and Calmodulin_Nlobe
Descriptor: AT15141p, CALCIUM ION, Transient receptor potential protein
Authors:Shen, Z.S.
Deposit date:2020-08-11
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
6IRD
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BU of 6ird by Molmil
Complex structure of INADL PDZ89 and PLCb4 C-terminal CC-PBM
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, GOLD ION, InaD-like protein
Authors:Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M.
Deposit date:2018-11-12
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
6IRE
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BU of 6ire by Molmil
Complex structure of INAD PDZ45 and NORPA CC-PBM
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, Inactivation-no-after-potential D protein
Authors:Ye, F, Li, J, Deng, X, Liu, W, Zhang, M.
Deposit date:2018-11-12
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
6IRC
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BU of 6irc by Molmil
C-terminal domain of Drosophila phospholipase b NORPA, methylated
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase
Authors:Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M.
Deposit date:2018-11-12
Release date:2019-01-02
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (3.538 Å)
Cite:An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
6IRB
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BU of 6irb by Molmil
C-terminal coiled coil domain of Drosophila phospholipase C beta NORPA, selenomethionine
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase
Authors:Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M.
Deposit date:2018-11-12
Release date:2019-01-02
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.661 Å)
Cite:An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
7CQH
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BU of 7cqh by Molmil
Complex of TRP_CBS2 and Calmodulin_Clobe
Descriptor: AT15141p, CALCIUM ION, Transient receptor potential protein
Authors:Shen, Z.S.
Deposit date:2020-08-10
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
7LJX
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BU of 7ljx by Molmil
Oxidized rat cytochrome c mutant (K53Q)
Descriptor: Cytochrome c, somatic, HEME C, ...
Authors:Huttemann, M, Edwards, B.F.P, Brunzelle, J.S, Vaishnav, A.
Deposit date:2021-02-01
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Lysine 53 Acetylation of Cytochrome c in Prostate Cancer: Warburg Metabolism and Evasion of Apoptosis.
Cells, 10, 2021
3QAU
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BU of 3qau by Molmil
3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme a reductase, GLYCEROL, SODIUM ION, ...
Authors:Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J.
Deposit date:2011-01-11
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae
To be Published
3QAE
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BU of 3qae by Molmil
3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme a reductase, CITRIC ACID, GLYCEROL, ...
Authors:Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J.
Deposit date:2011-01-10
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
To be Published
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