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7JK7
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BU of 7jk7 by Molmil
Crystal structure of Importin alpha 2 in complex with LSD1 NLS S111E mutant
Descriptor: GLYCEROL, Importin subunit alpha-1, Lysine-specific histone demethylase 1A
Authors:Tu, W.J, McCuaig, R, Tan, A.H.Y, Hardy, K, Seddiki, N, Ali, S, Dahlstron, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S.
Deposit date:2020-07-27
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch.
Front Immunol, 11, 2020
5HHG
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BU of 5hhg by Molmil
Mouse importin alpha: Dengue 2 NS5 C-terminal NLS peptide complex
Descriptor: Importin subunit alpha-1, RNA-directed RNA polymerase NS5
Authors:Smith, K.M, Forwood, J.K.
Deposit date:2016-01-11
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The C-terminal 18 Amino Acid Region of Dengue Virus NS5 Regulates its Subcellular Localization and Contains a Conserved Arginine Residue Essential for Infectious Virus Production.
PLoS Pathog., 12, 2016
4FMV
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BU of 4fmv by Molmil
Crystal Structure Analysis of a GH30 Endoxylanase from Clostridium papyrosolvens C71
Descriptor: Glucuronoarabinoxylan endo-1,4-beta-xylanase
Authors:Bales, E.B, Smith, J.K, St John, F.J, Hurlbert, J.C.
Deposit date:2012-06-18
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A novel member of glycoside hydrolase family 30 subfamily 8 with altered substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
8E4Y
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BU of 8e4y by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ...
Authors:Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
8E50
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BU of 8e50 by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ...
Authors:Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
1TYT
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BU of 1tyt by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.6 ANGSTROMS RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE, OXIDIZED FORM
Authors:Bailey, S, Hunter, W.N.
Deposit date:1993-06-10
Release date:1994-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of trypanothione reductase from Crithidia fasciculata at 2.6 A resolution; enzyme-NADP interactions at 2.8 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
1TYP
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BU of 1typ by Molmil
SUBSTRATE INTERACTIONS BETWEEN TRYPANOTHIONE REDUCTASE AND N1-GLUTATHIONYLSPERMIDINE DISULPHIDE AT 0.28-NM RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Bailey, S, Hunter, W.N.
Deposit date:1992-06-29
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate interactions between trypanothione reductase and N1-glutathionylspermidine disulphide at 0.28-nm resolution.
Eur.J.Biochem., 213, 1993
1P5Y
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BU of 1p5y by Molmil
The structures of host range controlling regions of the capsids of canine and feline parvoviruses and mutants
Descriptor: Coat protein VP2
Authors:Agbandje-McKenna, M, Govindasamy, L.
Deposit date:2003-04-28
Release date:2003-08-26
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of host range-controlling regions of the capsids of canine and feline parvoviruses and mutants.
J.Virol., 77, 2003
1P5W
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BU of 1p5w by Molmil
The structures of host range controlling regions of the capsids of canine and feline parvoviruses and mutants
Descriptor: 5'-D(P*(3DR)P*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3', Coat protein VP2, MAGNESIUM ION
Authors:Agbandje-McKenna, M, Govindasamy, L.
Deposit date:2003-04-28
Release date:2003-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of host range-controlling regions of the capsids of canine and feline parvoviruses and mutants.
J.Virol., 77, 2003
7RYD
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BU of 7ryd by Molmil
Hen egg-white lysozyme with ionic liquid butylammonium nitrate 1 mol%
Descriptor: Lysozyme C, NITRATE ION
Authors:Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T.
Deposit date:2021-08-25
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
7RXY
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BU of 7rxy by Molmil
Hen egg-white lysozyme with ionic liquid ethylammonium nitrate 5 mol%
Descriptor: Lysozyme C, NITRATE ION
Authors:Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T.
Deposit date:2021-08-24
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
7RYK
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BU of 7ryk by Molmil
Hen egg-white lysozyme with ionic liquid ethanolammonium nitrate 1 mol%
Descriptor: Lysozyme C, NITRATE ION
Authors:Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T.
Deposit date:2021-08-25
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
8OZ3
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BU of 8oz3 by Molmil
Crystal structure of scFv ATOR 1017 bound to human 4-1BB
Descriptor: Single chain Fv, Tumor necrosis factor receptor superfamily member 9
Authors:Hakansson, M, Von Schantz, L, Rose, N.
Deposit date:2023-05-08
Release date:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023
5FC8
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BU of 5fc8 by Molmil
Mouse importin alpha: Dengue 3 NS5 C-terminal NLS peptide complex
Descriptor: Importin subunit alpha-1, Nonstructural protein 5
Authors:Smith, K.M, Forwood, J.K.
Deposit date:2015-12-15
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The C-terminal 18 Amino Acid Region of Dengue Virus NS5 Regulates its Subcellular Localization and Contains a Conserved Arginine Residue Essential for Infectious Virus Production.
PLoS Pathog., 12, 2016
5BVN
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BU of 5bvn by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Authors:Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-12
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVK
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BU of 5bvk by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Descriptor: 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVO
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BU of 5bvo by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
Authors:Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVW
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BU of 5bvw by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
Authors:Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5JAN
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BU of 5jan by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAT
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BU of 5jat by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAR
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BU of 5jar by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAS
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BU of 5jas by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAD
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BU of 5jad by Molmil
Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Day, P.J, Woolford, A.J.-A.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAH
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BU of 5jah by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 1,5,5-trimethylimidazolidine-2,4-dione, CHLORIDE ION, Platelet-activating factor acetylhydrolase
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAU
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BU of 5jau by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016

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