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8OQQ
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-79
Descriptor: 2-fluoranyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
6Q2Z
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BU of 6q2z by Molmil
NMR solution structure of the HVO_2922 protein from Haloferax volcanii
Descriptor: UPF0339 family protein
Authors:Kubatova, N, Jonker, H.R.A, Saxena, K, Richter, C, Marchfelder, A, Schwalbe, H.
Deposit date:2018-12-03
Release date:2019-06-12
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of the Small Protein HVO_2922 from Haloferax volcanii.
Chembiochem, 21, 2020
8OQS
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Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-83
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-phenylbenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
7W85
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BU of 7w85 by Molmil
Structural of the filamentous Escherichia coli glutamine synthetase
Descriptor: Glutamine synthetase, NICKEL (II) ION
Authors:Huang, P.-C, Chen, S.-K, Wu, K.-P.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for the helical filament formation of Escherichia coli glutamine synthetase.
Protein Sci., 31, 2022
8OQV
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BU of 8oqv by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-109
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-nitrobenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQR
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BU of 8oqr by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-cyanobenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQP
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BU of 8oqp by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76
Descriptor: 2-azanyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
4RYT
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BU of 4ryt by Molmil
Crystal Structure of F222 form of E112A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, 5'/3'-nucleotidase SurE, MAGNESIUM ION, ...
Authors:Mathiharan, Y.K, Murthy, M.R.N.
Deposit date:2014-12-17
Release date:2015-09-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Insights into stabilizing interactions in the distorted domain-swapped dimer of Salmonella typhimurium survival protein.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
6Q38
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BU of 6q38 by Molmil
The Crystal structure of CK2a bound to P1-C4
Descriptor: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ...
Authors:Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6Q4Q
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BU of 6q4q by Molmil
The Crystal structure of CK2a bound to P2-C4
Descriptor: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ...
Authors:Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
Deposit date:2018-12-06
Release date:2019-04-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
7W8G
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BU of 7w8g by Molmil
Cryo-EM structure of MCM double hexamer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
Authors:Cheng, J, Li, N, Tye, B, Zhai, Y, Gao, N.
Deposit date:2021-12-07
Release date:2022-04-13
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
1GUY
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BU of 1guy by Molmil
Structural Basis for Thermophilic Protein Stability: Structures of Thermophilic and Mesophilic Malate Dehydrogenases
Descriptor: CADMIUM ION, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Dalhus, B, Sarinen, M, Sauer, U.H, Eklund, P, Johansson, K, Karlsson, A, Ramaswamy, S, Bjork, A, Synstad, B, Naterstad, K, Sirevag, R, Eklund, H.
Deposit date:2002-02-04
Release date:2002-02-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Thermophilic Protein Stability: Structures of Thermophilic and Mesophilic Malate Dehydrogenases
J.Mol.Biol., 318, 2002
8OQU
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BU of 8oqu by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-chloranylbenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8PDD
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BU of 8pdd by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni at 1.25A resolution.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-12
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLQ
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BU of 8plq by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 27.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PL7
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BU of 8pl7 by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 8.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PL6
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BU of 8pl6 by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 7.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLM
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BU of 8plm by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 23.
Descriptor: 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLD
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BU of 8pld by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 14.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-Benzyl-2-methoxyacetamide, Thioredoxin glutathione reductase
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLU
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BU of 8plu by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 31.
Descriptor: 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLX
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BU of 8plx by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 34.
Descriptor: 4-(4-fluorophenyl)piperazine-1-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
7R86
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BU of 7r86 by Molmil
Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
8PL1
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BU of 8pl1 by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 2.
Descriptor: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PL8
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BU of 8pl8 by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 9.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLG
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BU of 8plg by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 17.
Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors:Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024

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PDB entries from 2024-07-17

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