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5ZFG
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BU of 5zfg by Molmil
Crystal structure of a diazinon-metabolizing glutathione S-transferase in the silkworm, Bombyx mori
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glutathione S-transferase
Authors:Yamamoto, K, Higashiura, A, Nakagawa, A.
Deposit date:2018-03-06
Release date:2018-09-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterisation of a diazinon-metabolising glutathione S-transferase in the silkworm Bombyx mori by X-ray crystallography and genome editing analysis.
Sci Rep, 8, 2018
3MFL
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BU of 3mfl by Molmil
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
Descriptor: 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, CARBONATE ION, ...
Authors:Purpero, V.M, Lipscomb, J.D.
Deposit date:2010-04-02
Release date:2011-04-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
To be Published
5FFY
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BU of 5ffy by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand
Descriptor: 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide, Peregrin
Authors:Tallant, C, Savitsky, P, Nunez-Alonso, G, Kopec, J, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2015-12-19
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand
To Be Published
2WMA
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BU of 2wma by Molmil
Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIC RKLFN-NH2, CYCLIN-A2
Authors:Robertson, G.F, Endicott, J.A, Noble, M.E.M, McDonnell, J.M.
Deposit date:2009-06-30
Release date:2010-09-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Thermodynamic Consequences of Cyclization of Peptide Ligands for the Recruitment Site of Cyclin A
To be Published
4C7L
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BU of 4c7l by Molmil
Crystal structure of Mouse Hepatitis virus strain S Hemagglutinin- esterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zeng, Q.H, Huizinga, E.G.
Deposit date:2013-09-23
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Murine Coronavirus Hemagglutinin-Esterase Receptor-Binding Site: A Major Shift in Ligand Specificity Through Modest Changes in Architecture.
Plos Pathog., 8, 2012
6GL8
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BU of 6gl8 by Molmil
Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746
Descriptor: Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Authors:Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O.
Deposit date:2018-05-23
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
3MAK
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BU of 3mak by Molmil
Crystal structure of Glutathione transferase dmGSTD1 from Drosophila melanogaster, in complex with glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase 1-1
Authors:Wongsantichon, J, Robinson, R.C, Ketterman, A.J.
Deposit date:2010-03-24
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evidence for conformational changes of Delta class glutathione transferases after ligand binding
Arch.Biochem.Biophys., 521, 2012
4TS9
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BU of 4ts9 by Molmil
Crystal structure of wild type E. Coli purine nucleoside phosphorylase with 6 FMC molecules
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
Authors:Stefanic, Z, Bzowska, A.
Deposit date:2014-06-18
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis.
Sci Rep, 8, 2018
4TTJ
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BU of 4ttj by Molmil
Crystal structure of double mutant E. Coli purine nucleoside phosphorylase with 6 FMC molecules
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type, ...
Authors:Stefanic, Z, Bzowska, A.
Deposit date:2014-06-21
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis.
Sci Rep, 8, 2018
3TF0
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BU of 3tf0 by Molmil
Crystal structure of an H-NOX protein from T. tengcongensis
Descriptor: ACETATE ION, Methyl-accepting chemotaxis protein, OXYGEN MOLECULE, ...
Authors:Winter, M.B, Herzik Jr, M.A, Kuriyan, J, Marletta, M.A.
Deposit date:2011-08-15
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Tunnels modulate ligand flux in a heme nitric oxide/oxygen binding (H-NOX) domain.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TFE
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BU of 3tfe by Molmil
Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120, L66W mutant under 6 atm of xenon
Descriptor: Alr2278 protein, MALONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Winter, M.B, Herzik Jr, M.A, Kuriyan, J, Marletta, M.A.
Deposit date:2011-08-15
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Tunnels modulate ligand flux in a heme nitric oxide/oxygen binding (H-NOX) domain.
Proc.Natl.Acad.Sci.USA, 108, 2011
5JG4
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BU of 5jg4 by Molmil
Structure of the effector protein LpiR1 (Lpg0634) from Legionella pneumophila
Descriptor: CITRATE ANION, GLYCEROL, PHOSPHATE ION, ...
Authors:Beyrakhova, K, van Straaten, K, Cygler, M.
Deposit date:2016-04-19
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Investigations of the Effector Protein LpiR1 from Legionella pneumophila.
J.Biol.Chem., 291, 2016
4TTA
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BU of 4tta by Molmil
Crystal structure of double mutant E. Coli purine nucleoside phosphorylase with 2 FMC molecules
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type, ...
Authors:Stefanic, Z, Bzowska, A.
Deposit date:2014-06-20
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis.
Sci Rep, 8, 2018
5HI6
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BU of 5hi6 by Molmil
The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-11
Release date:2016-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:The high resolution structure of dihydrofolate reductase from Yersinia pestis complex with methotrexate as closed form
To Be Published
3TFG
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BU of 3tfg by Molmil
Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120, L66W/L67W double mutant
Descriptor: Alr2278 protein, MALONIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Winter, M.B, Herzik Jr, M.A, Kuriyan, J, Marletta, M.A.
Deposit date:2011-08-15
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9003 Å)
Cite:Tunnels modulate ligand flux in a heme nitric oxide/oxygen binding (H-NOX) domain.
Proc.Natl.Acad.Sci.USA, 108, 2011
5HD6
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BU of 5hd6 by Molmil
High resolution structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Yersinia pestis at 1.35 A
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL
Authors:Chang, C, Maltseva, N, Kim, Y, Mulligan, R, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-04
Release date:2016-01-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High resolution structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Yersinia pestis at 1.35 A
To Be Published
5X70
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BU of 5x70 by Molmil
Crystal structure of Rice Dwarf Virus P5 in complex with a ssRNA oligomer
Descriptor: RNA (5'-R(P*GP*GP*CP*AP*AP*A)-3'), mRNA capping enzyme P5
Authors:Nakamichi, Y, Higashiura, A, Nakagawa, A.
Deposit date:2017-02-23
Release date:2018-02-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of capping enzyme from Rice dwarf virus
To Be Published
7L18
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BU of 7l18 by Molmil
Crystal structure of a tandem deletion mutant of rat NADPH-cytochrome P450 reductase
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubbard, P.A, Xia, C, Shen, A.L, Kim, J.J.K.
Deposit date:2020-12-14
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.542 Å)
Cite:Structural and kinetic investigations of the carboxy terminus of NADPH-cytochrome P450 oxidoreductase.
Arch.Biochem.Biophys., 701, 2021
6H62
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BU of 6h62 by Molmil
QTRT1, the catalytic subunit of murine tRNA-Guanine Transglycosylase
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase catalytic subunit 1, ZINC ION
Authors:Behrens, C, Heine, A, Reuter, K.
Deposit date:2018-07-26
Release date:2019-08-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.684 Å)
Cite:Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
4J1Z
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BU of 4j1z by Molmil
Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one
Descriptor: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E.
Deposit date:2013-02-03
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
5G22
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BU of 5g22 by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26)
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5ZF1
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BU of 5zf1 by Molmil
Molecular structure of a novel 5,10-methylenetetrahydrofolate dehydrogenase from the silkworm, Bombyx mori
Descriptor: 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate dehydrogenase, SULFATE ION
Authors:Haque, R, Higashiura, A, Nakagawa, A, Yamamoto, K.
Deposit date:2018-03-02
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular structure of a 5,10-methylenetetrahydrofolate dehydrogenase from the silkwormBombyx mori.
FEBS Open Bio, 9, 2019
5G20
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BU of 5g20 by Molmil
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
Descriptor: 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5GVQ
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BU of 5gvq by Molmil
Solution structure of the first RRM domain of human spliceosomal protein SF3b49
Descriptor: Splicing factor 3B subunit 4
Authors:Kuwasako, K, Nameki, N, Tsuda, K, Takahashi, M, Sato, A, Tochio, N, Inoue, M, Terada, T, Kigawa, T, Kobayashi, N, Shirouzu, M, Ito, T, Sakamoto, T, Wakamatsu, K, Guntert, P, Takahashi, S, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2016-09-06
Release date:2017-04-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the first RNA recognition motif domain of human spliceosomal protein SF3b49 and its mode of interaction with a SF3b145 fragment.
Protein Sci., 26, 2017
1M9Z
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BU of 1m9z by Molmil
CRYSTAL STRUCTURE OF HUMAN TGF-BETA TYPE II RECEPTOR LIGAND BINDING DOMAIN
Descriptor: GLYCEROL, TGF-BETA RECEPTOR TYPE II
Authors:Boesen, C.C, Radaev, S, Motyka, S.A, Patamawenu, A, Sun, P.D.
Deposit date:2002-07-30
Release date:2002-09-11
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:THE 1.1A CRYSTAL STRUCTURE OF HUMAN TGF-BETA TYPE II RECEPTOR LIGAND BINDING DOMAIN
Structure, 10, 2002

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