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6F4K
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BU of 6f4k by Molmil
Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with hexyl-glutathione
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Schwartz, M, Favier, F, Didierjean, C.
Deposit date:2017-11-29
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
6F51
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BU of 6f51 by Molmil
Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with glutathionyl-phenylacetophenone
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, ...
Authors:Schwartz, M, Favier, F, Didierjean, C.
Deposit date:2017-11-30
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
6X5Z
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BU of 6x5z by Molmil
Bovine Cardiac Myosin in Complex with Chicken Skeletal Actin and Human Cardiac Tropomyosin in the Rigor State
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Doran, M.H, Lehman, W, Rynkiewicz, M.J, Bullitt, E.
Deposit date:2020-05-27
Release date:2020-07-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Cryo-EM and Molecular Docking Shows Myosin Loop 4 Contacts Actin and Tropomyosin on Thin Filaments.
Biophys.J., 119, 2020
7AEN
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BU of 7aen by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside
Descriptor: CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ...
Authors:Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C.
Deposit date:2020-09-17
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain
Acs Med.Chem.Lett., 12, 2021
1BW7
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BU of 1bw7 by Molmil
SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING A REPLICABLE DIFLUOROTOLUENE-ADENINE PAIR
Descriptor: DNA (5'-D(*CP*GP*CP*AP*TP*(DFT)P*GP*TP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*CP*AP*AP*TP*GP*CP*G)-3')
Authors:Guckian, K.M, Krugh, T.R, Kool, E.T.
Deposit date:1998-09-30
Release date:1998-10-07
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Solution structure of a DNA duplex containing a replicable difluorotoluene-adenine pair.
Nat.Struct.Biol., 5, 1998
4P44
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BU of 4p44 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-81
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Novakova, Z, Barinka, C.
Deposit date:2014-03-11
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
5MEL
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BU of 5mel by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol
Descriptor: (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-11-15
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
6FAM
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BU of 6fam by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin
Descriptor: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ...
Authors:Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J.
Deposit date:2017-12-15
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
6YAJ
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BU of 6yaj by Molmil
Split gene transketolase, inactive beta4 tetramer
Descriptor: 1,2-ETHANEDIOL, C-terminal chain of split transketolase from Carboxydothermus hydrogenoformans, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Littlechild, J.A, James, P.
Deposit date:2020-03-12
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization.
Front Microbiol, 11, 2020
1KE6
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BU of 1ke6 by Molmil
CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
Descriptor: Cell division protein kinase 2, N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
Authors:Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.H, Shewchuk, L.M, Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
6FCM
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BU of 6fcm by Molmil
Crystal structure of human PCNA
Descriptor: Proliferating cell nuclear antigen
Authors:Housset, D, Frachet, P.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cytosolic PCNA interacts with p47phox and controls NADPH oxidase NOX2 activation in neutrophils.
J.Exp.Med., 216, 2019
1KDW
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BU of 1kdw by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-carboxyphenylboronic acid
Descriptor: 4-CARBOXYPHENYLBORONIC ACID, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Shoichet, B.K.
Deposit date:2001-11-13
Release date:2002-07-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-based approach for binding site identification on AmpC beta-lactamase.
J.Med.Chem., 45, 2002
5MHH
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BU of 5mhh by Molmil
Crystal structure of engineered human lipocalin 2 carrying p-boronophenylalanine at position 36
Descriptor: Neutrophil gelatinase-associated lipocalin, SULFATE ION
Authors:Skerra, A, Eichinger, A.
Deposit date:2016-11-24
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational Design of an Anticalin-Type Sugar-Binding Protein Using a Genetically Encoded Boronate Side Chain.
ACS Synth Biol, 6, 2017
6YMU
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BU of 6ymu by Molmil
Imidazole Glycerol Phosphate Synthase
Descriptor: Imidazole glycerol phosphate synthase subunit HisF, Imidazole glycerol phosphate synthase subunit HisH
Authors:Sterner, R, Rajendran, C, Andrea, K.
Deposit date:2020-04-09
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Significance of the Protein Interface Configuration for Allostery in Imidazole Glycerol Phosphate Synthase.
Biochemistry, 59, 2020
8PV2
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BU of 8pv2 by Molmil
Chaetomium thermophilum pre-60S State 10 - pre-5S rotation with Ytm1-Erb1
Descriptor: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2023-11-15
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
7B0M
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BU of 7b0m by Molmil
Sugar transaminase from a metagenome collected from troll oil field production water
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar aminotransferase, ...
Authors:Littlechild, J.A, De Rose, S.A, Isupov, M.N, Sayer, C, Karki, S.
Deposit date:2020-11-20
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Sugar transaminases from hot environments
To Be Published
8PUW
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BU of 8puw by Molmil
Chaetomium thermophilum Las1-Grc3-complex
Descriptor: Las1, Polynucleotide 5'-hydroxyl-kinase GRC3
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2023-11-15
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
7B0D
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BU of 7b0d by Molmil
Sugar transaminase from Archaeoglobus veneficus
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:James, P, Littlechild, J.A, De Rose, S.A, Isupov, M.N.
Deposit date:2020-11-19
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Sugar transaminases from hot environments
To Be Published
8PV3
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BU of 8pv3 by Molmil
Chaetomium thermophilum pre-60S State 9 - pre-5S rotation - immature H68/H69 - composite structure
Descriptor: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2023-11-15
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8PV7
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BU of 8pv7 by Molmil
Chaetomium thermophilum pre-60S State 1 - pre-5S rotation (Arx1/Nog2 state) - Composite structure
Descriptor: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2023-11-15
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.12 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
6MYA
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BU of 6mya by Molmil
Crystal structure of InvbP.18715.a.KN11: Influenza hemagglutinin from strain A/Almaty/32/1998
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-11-01
Release date:2018-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
8PTW
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BU of 8ptw by Molmil
Chaetomium thermophilum Rix1-complex
Descriptor: Pre-rRNA-processing protein IPI3, Pre-rRNA-processing protein RIX1
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-15
Release date:2023-11-15
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8R4Q
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BU of 8r4q by Molmil
Salt inducible kinase 3 in complex with inhibitor
Descriptor: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, SULFATE ION, Serine/threonine-protein kinase SIK3, ...
Authors:Kack, H, Oster, L.
Deposit date:2023-11-14
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.838 Å)
Cite:The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
8R4V
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BU of 8r4v by Molmil
Structure of Salt-inducible kinase 3 in complex with inhibitor
Descriptor: 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea, Serine/threonine-protein kinase SIK3
Authors:Kack, H, Oster, L.
Deposit date:2023-11-14
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
8R4O
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BU of 8r4o by Molmil
Salt inducible kinase 3 in complex with inhibitor
Descriptor: 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide, SULFATE ION, Serine/threonine-protein kinase SIK3, ...
Authors:Kack, H, Oster, L.
Deposit date:2023-11-14
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.725 Å)
Cite:The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024

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