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5HS3
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BU of 5hs3 by Molmil
Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol, Thymidylate synthase
Authors:Chen, D, Almqvist, H, Axelsson, H, Jafari, R, Mateus, A, Haraldsson, M, Larsson, A, Artursson, P, Molina, D.M, Lundback, T, Nordlund, P.
Deposit date:2016-01-25
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil
Nat Commun, 7, 2016
5YFM
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BU of 5yfm by Molmil
Human isocitrate dehydrogenase 1 bound with NADP
Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Nordlund, P, Chen, D, Jansson, A, Larsson, A.
Deposit date:2017-09-21
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human isocitrate dehydrogenase 1 bound with NADP
To Be Published
5YFN
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BU of 5yfn by Molmil
Human isocitrate dehydrogenase 1 bound with isocitrate
Descriptor: ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ...
Authors:Nordlund, P, Chen, D, Jansson, A, Larsson, A.
Deposit date:2017-09-21
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human isocitrate dehydrogenase 1 bound with isocitrate
To Be Published
5X5D
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BU of 5x5d by Molmil
Human thymidylate synthase bound with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-15
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X4W
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BU of 5x4w by Molmil
Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition
Descriptor: PHOSPHATE ION, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X4X
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BU of 5x4x by Molmil
Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X69
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BU of 5x69 by Molmil
Human thymidylate synthase with a fragment bound in the dimer interface
Descriptor: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-21
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X4Y
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BU of 5x4y by Molmil
Mutant human thymidylate synthase M190K crystallized in a sulfate-containing condition
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X5Q
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BU of 5x5q by Molmil
Human thymidylate synthase complexed with dUMP and raltitrexed
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-17
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X67
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BU of 5x67 by Molmil
Human thymidylate synthase in complex with dUMP and nolatrexed
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-21
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states.
J. Biol. Chem., 292, 2017
5X5A
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BU of 5x5a by Molmil
Human thymidylate synthase bound with phosphate ion
Descriptor: PHOSPHATE ION, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-15
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X66
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BU of 5x66 by Molmil
Human thymidylate synthase in complex with dUMP and methotrexate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-21
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5WRN
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BU of 5wrn by Molmil
Human thymidylate synthase complexed with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Nordlund, P.
Deposit date:2016-12-02
Release date:2016-12-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Human thymidylate synthase complexed with dCMP
To Be Published
5EN3
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BU of 5en3 by Molmil
Crystal structure of human transthyretin in complex with luteolin-Cl at 1.25 A resolution
Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one, GLYCEROL, SODIUM ION, ...
Authors:Begum, A, Nilsson, L, Olofsson, A, Sauer-Eriksson, A.E.
Deposit date:2015-11-09
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity.
Plos One, 11, 2016
5IHH
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BU of 5ihh by Molmil
Crystal structure of human transthyretin in complex with luteolin-MeO at 1.35 A resolution
Descriptor: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one, SODIUM ION, Transthyretin
Authors:Begum, A, Nilsson, L, Olofsson, A, Sauer-Eriksson, A.E.
Deposit date:2016-02-29
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity.
Plos One, 11, 2016
5JU6
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BU of 5ju6 by Molmil
Structural and Functional Studies of Glycoside Hydrolase Family 3 beta-Glucosidase Cel3A from the Moderately Thermophilic Fungus Rasamsonia emersonii
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, ...
Authors:Gudmundsson, M, Sandgren, M, Karkehabadi, S.
Deposit date:2016-05-10
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional studies of the glycoside hydrolase family 3 beta-glucosidase Cel3A from the moderately thermophilic fungus Rasamsonia emersonii.
Acta Crystallogr D Struct Biol, 72, 2016
5IU1
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BU of 5iu1 by Molmil
N-terminal PAS domain homodimer of PpANR MAP3K from Physcomitrella patens.
Descriptor: CTR1-like protein, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Stevenson, R.R, Trinh, C.H, Edwards, T.A, Cuming, A.C.
Deposit date:2016-03-17
Release date:2016-06-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Genetic Analysis of Physcomitrella patens Identifies ABSCISIC ACID NON-RESPONSIVE, a Regulator of ABA Responses Unique to Basal Land Plants and Required for Desiccation Tolerance.
Plant Cell, 28, 2016
2J7L
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BU of 2j7l by Molmil
E. coli P Pilus chaperone PapD in complex with a pilus biogenesis inhibitor, pilicide 2c
Descriptor: (3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, CHAPERONE PROTEIN PAPD
Authors:Remaut, H, Pinkner, J.S, Hultgren, S.J, Almqvist, F, Waksman, G.
Deposit date:2006-10-12
Release date:2006-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Rationally Designed Small Compounds Inhibit Pilus Biogenesis in Uropathogenic Bacteria.
Proc.Natl.Acad.Sci.USA, 103, 2006
5ZNC
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BU of 5znc by Molmil
Plasmodium falciparum purine nucleoside phosphorylase in complex with quinine
Descriptor: PHOSPHATE ION, Purine nucleoside phosphorylase, Quinine
Authors:Chen, D, Nordlund, P.
Deposit date:2018-04-08
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019
5ZNI
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BU of 5zni by Molmil
Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine
Descriptor: Mefloquine, PHOSPHATE ION, Purine nucleoside phosphorylase
Authors:Chen, D, Nordlund, P, Dziekan, J.M.
Deposit date:2018-04-09
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019

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