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1GP1
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BU of 1gp1 by Molmil
THE REFINED STRUCTURE OF THE SELENOENZYME GLUTATHIONE PEROXIDASE AT 0.2-NM RESOLUTION
Descriptor: GLUTATHIONE PEROXIDASE
Authors:Epp, O, Ladenstein, R.
Deposit date:1985-06-11
Release date:1985-11-08
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:The refined structure of the selenoenzyme glutathione peroxidase at 0.2-nm resolution.
Eur.J.Biochem., 133, 1983
8BP0
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BU of 8bp0 by Molmil
Crystal structure of BHMeHis1.8, an engineered enzyme for the Morita-Baylis-Hillman reaction
Descriptor: 1,2-ETHANEDIOL, BHMeHis1.8, TRIETHYLENE GLYCOL
Authors:Hardy, F.J.
Deposit date:2022-11-15
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
8BP1
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BU of 8bp1 by Molmil
Crystal structure of BHMeHis1.0, an engineered enzyme for the Morita-Baylis-Hillman reaction
Descriptor: ACETATE ION, BHMeHis1.0, DI(HYDROXYETHYL)ETHER, ...
Authors:Hardy, F.J.
Deposit date:2022-11-15
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
6D24
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BU of 6d24 by Molmil
Trypanosoma cruzi Glucose-6-P Dehydrogenase in complex with G6P
Descriptor: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Botti, H, Ortiz, C, Comini, M.A, Larrieux, N, Buschiazzo, A.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Glucose-6-Phosphate Dehydrogenase from the Human Pathogen Trypanosoma cruzi Evolved Unique Structural Features to Support Efficient Product Formation.
J.Mol.Biol., 431, 2019
1O6B
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BU of 1o6b by Molmil
Crystal structure of phosphopantetheine adenylyltransferase with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O66
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BU of 1o66 by Molmil
Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase
Descriptor: 3-methyl-2-oxobutanoate hydroxymethyltransferase, GLYCEROL
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O67
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BU of 1o67 by Molmil
Crystal structure of an hypothetical protein
Descriptor: Hypothetical protein yiiM
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O60
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BU of 1o60 by Molmil
Crystal structure of KDO-8-phosphate synthase
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
3P0Q
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BU of 3p0q by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Descriptor: N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, SODIUM ION, SULFATE ION, ...
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
7ZCE
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BU of 7zce by Molmil
SARS-CoV-2 Spike protein in complex with the single chain fragment scFv76
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Chaves-Sanjuan, A, Bolognesi, M.
Deposit date:2022-03-28
Release date:2022-10-12
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
1O6D
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BU of 1o6d by Molmil
Crystal structure of a hypothetical protein
Descriptor: Hypothetical UPF0247 protein TM0844
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
7ZCF
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BU of 7zcf by Molmil
SARS-CoV-2 Spike RBD in complex with the single chain fragment scFv76 (Focused Refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, scFv76 single chain fragment
Authors:Chaves-Sanjuan, A, Bolognesi, M.
Deposit date:2022-03-28
Release date:2022-10-12
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
1O62
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BU of 1o62 by Molmil
Crystal structure of the apo form of a PLP-dependent enzyme
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, aminotransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project.
Proteins, 60, 2005
8W2E
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BU of 8w2e by Molmil
SARS-CoV-2 M protein dimer in complex with JNJ-9676 and Fab-B
Descriptor: (6S,8R)-N-(3-cyanophenyl)-5-{4-[difluoro(phenyl)methyl]phenyl}-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide, Fab B Heavy Chain, Fab B Light Chain, ...
Authors:Yin, Y, Van Damme, E.
Deposit date:2024-02-20
Release date:2025-01-29
Last modified:2025-04-23
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:A small-molecule SARS-CoV-2 inhibitor targeting the membrane protein.
Nature, 640, 2025
1O65
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BU of 1o65 by Molmil
Crystal structure of an hypothetical protein
Descriptor: Hypothetical protein yiiM
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O61
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BU of 1o61 by Molmil
Crystal structure of a PLP-dependent enzyme with PLP
Descriptor: ACETATE ION, PYRIDOXAL-5'-PHOSPHATE, aminotransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O68
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BU of 1o68 by Molmil
Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase
Descriptor: 3-METHYL-2-OXOBUTANOIC ACID, 3-methyl-2-oxobutanoate hydroxymethyltransferase, SODIUM ION
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O69
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BU of 1o69 by Molmil
Crystal structure of a PLP-dependent enzyme
Descriptor: (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, BETA-MERCAPTOETHANOL, aminotransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O64
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BU of 1o64 by Molmil
Crystal structure of an ATP phosphoribosyltransferase
Descriptor: ATP phosphoribosyltransferase, PHOSPHATE ION
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
5CJF
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BU of 5cjf by Molmil
The crystal structure of the human carbonic anhydrase XIV in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor.
Descriptor: 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide, Carbonic anhydrase 14, GLYCEROL, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2015-07-14
Release date:2015-11-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors.
J.Med.Chem., 58, 2015
3P0P
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BU of 3p0p by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Descriptor: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
3Q6Z
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BU of 3q6z by Molmil
HUman PARP14 (ARTD8)-Macro domain 1 in complex with adenosine-5-diphosphoribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-04
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
3Q71
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BU of 3q71 by Molmil
Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose
Descriptor: Poly [ADP-ribose] polymerase 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-04
Release date:2011-01-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
5K7I
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BU of 5k7i by Molmil
IRAK4 in complex with AZ3864
Descriptor: (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Ferguson, A.D.
Deposit date:2016-05-26
Release date:2017-12-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
3O0W
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BU of 3o0w by Molmil
Structural basis of carbohydrate recognition by calreticulin
Descriptor: CALCIUM ION, Calreticulin, alpha-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Kozlov, G, Gehring, K.
Deposit date:2010-07-20
Release date:2010-09-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of carbohydrate recognition by calreticulin.
J.Biol.Chem., 285, 2010

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