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6GH9
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BU of 6gh9 by Molmil
USP15 catalytic domain in complex with small molecule
Descriptor: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DIMETHYL SULFOXIDE, Ubiquitin carboxyl-terminal hydrolase 15, ...
Authors:Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I.
Deposit date:2018-05-06
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel.
J. Biol. Chem., 293, 2018
4MEL
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BU of 4mel by Molmil
Crystal Structure of the human USP11 DUSP-UBL domains
Descriptor: Ubiquitin carboxyl-terminal hydrolase 11
Authors:Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
Deposit date:2013-08-27
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
4MEM
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BU of 4mem by Molmil
Crystal Structure of the rat USP11 DUSP-UBL domains
Descriptor: Ubiquitin carboxyl-terminal hydrolase 11
Authors:Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
Deposit date:2013-08-27
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
4KE7
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BU of 4ke7 by Molmil
Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-myristoyl glycerol analogue
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase, dodecyl hydrogen (S)-(3-azidopropyl)phosphonate
Authors:Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M.
Deposit date:2013-04-25
Release date:2013-09-18
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
4KEA
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BU of 4kea by Molmil
Crystal structure of D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in space group P212121
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase
Authors:Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M.
Deposit date:2013-04-25
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
4KE9
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BU of 4ke9 by Molmil
Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-stearyol glycerol analogue
Descriptor: Thermostable monoacylglycerol lipase, hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate
Authors:Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M.
Deposit date:2013-04-25
Release date:2013-09-18
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
4L4R
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BU of 4l4r by Molmil
Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme
Descriptor: L-lactate dehydrogenase A chain
Authors:Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
Deposit date:2013-06-09
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
4L4S
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BU of 4l4s by Molmil
Structural characterisation of the NADH binary complex of human lactate dehydrogenase M isozyme
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain
Authors:Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
Deposit date:2013-06-09
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
6S74
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BU of 6s74 by Molmil
Crystal structure of CARM1 in complex with inhibitor UM305
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol, GLYCEROL, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S54
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BU of 6s54 by Molmil
Transaminase from Pseudomonas fluorescens
Descriptor: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Smith, P, Roura Padrosa, D, Lopez-Gallego, F, Paradisi, F, Dreveny, I.
Deposit date:2019-06-30
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Enhancing PLP-Binding Capacity of Class-III omega-Transaminase by Single Residue Substitution.
Front Bioeng Biotechnol, 7, 2019
6S77
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BU of 6s77 by Molmil
Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S7C
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BU of 6s7c by Molmil
Crystal structure of CARM1 in complex with inhibitor UM079
Descriptor: 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S71
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BU of 6s71 by Molmil
Crystal structure of CARM1 in complex with inhibitor WH5C
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.062 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S7B
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BU of 6s7b by Molmil
Crystal structure of CARM1 in complex with inhibitor UM249
Descriptor: 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.659 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S7A
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BU of 6s7a by Molmil
Crystal structure of CARM1 in complex with inhibitor AA175
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol, GLYCEROL, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Al-Noori, A, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S70
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BU of 6s70 by Molmil
Crystal structure of CARM1 in complex with inhibitor UM251
Descriptor: 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine, GLYCEROL, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S79
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BU of 6s79 by Molmil
Crystal structure of CARM1 in complex with inhibitor AA183
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Al-Noori, A, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
8OS5
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BU of 8os5 by Molmil
Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction
Descriptor: Coagulation factor XII-Mie
Authors:Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J.
Deposit date:2023-04-18
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
7LUB
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BU of 7lub by Molmil
Crystal structure of recombinant human fumarase in complex with D-2-amino-3-phosphono-propionic acid
Descriptor: D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID, Fumarate hydratase, mitochondrial, ...
Authors:Cardoso, I.A, Nonato, M.C.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
3RLI
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BU of 3rli by Molmil
Crystal structure of monoacylglycerol lipase from Bacillus sp. H257 in complex with PMSF
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase, phenylmethanesulfonic acid
Authors:Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M.
Deposit date:2011-04-19
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes.
Biochim.Biophys.Acta, 1821, 2012
3RM3
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BU of 3rm3 by Molmil
Crystal structure of monoacylglycerol lipase from Bacillus sp. H257
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase
Authors:Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M.
Deposit date:2011-04-20
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes.
Biochim.Biophys.Acta, 1821, 2012
6GT6
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BU of 6gt6 by Molmil
Crystal structure of recombinant coagulation factor beta-XIIa
Descriptor: CYSTEINE, Coagulation factor XII, GLYCEROL, ...
Authors:Pathak, M, Emsley, J.
Deposit date:2018-06-15
Release date:2019-07-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
6SZW
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BU of 6szw by Molmil
Asymmetric complex of Factor XII and kininogen with gC1qR/C1QBP/P32 is governed by allostery
Descriptor: Coagulation factor XII, Complement component 1 Q subcomponent-binding protein, mitochondrial, ...
Authors:Kaira, B.G, Emsley, J.
Deposit date:2019-10-02
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
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