1HUE
 
 | | HISTONE-LIKE PROTEIN | | Descriptor: | HU PROTEIN | | Authors: | Vis, H, Mariani, M, Vorgias, C.E, Wilson, K.S, Kaptein, R, Boelens, R. | | Deposit date: | 1995-05-26 | | Release date: | 1995-10-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the HU protein from Bacillus stearothermophilus.
J.Mol.Biol., 254, 1995
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5HS3
 | | 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
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1E8J
 | | SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS ZINC RUBREDOXIN, NMR, 20 STRUCTURES | | Descriptor: | RUBREDOXIN | | Authors: | Lamosa, P, Brennan, L, Vis, H, Turner, D.L, Santos, H. | | Deposit date: | 2000-09-21 | | Release date: | 2001-10-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of Desulfovibrio gigas rubredoxin: a model for studying protein stabilization by compatible solutes.
Extremophiles, 5, 2001
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1ARR
 | | RELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF THE ARC REPRESSOR | | Descriptor: | ARC REPRESSOR | | Authors: | Bonvin, A.M.J.J, Vis, H, Burgering, M.J.M, Breg, J.N, Boelens, R, Kaptein, R. | | Deposit date: | 1993-08-24 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance solution structure of the Arc repressor using relaxation matrix calculations.
J.Mol.Biol., 236, 1994
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1ARQ
 | | RELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF THE ARC REPRESSOR | | Descriptor: | ARC REPRESSOR | | Authors: | Bonvin, A.M.J.J, Vis, H, Burgering, M.J.M, Breg, J.N, Boelens, R, Kaptein, R. | | Deposit date: | 1993-08-24 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance solution structure of the Arc repressor using relaxation matrix calculations.
J.Mol.Biol., 236, 1994
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2KMY
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1DQD
 | | CRYSTAL STRUCTURE OF FAB HGR-2 F6, A COMPETITIVE ANTAGONIST OF THE GLUCAGON RECEPTOR | | Descriptor: | FAB HGR-2 F6 | | Authors: | Wright, L.M, Brzozowski, A.M, Hubbard, R.E, Pike, A.C.W, Roberts, S.M, Skovgaard, R.N, Svendsen, I, Vissing, H, Bywater, R.P. | | Deposit date: | 2000-01-04 | | Release date: | 2000-05-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Fab hGR-2 F6, a competitive antagonist of the glucagon receptor.
Acta Crystallogr.,Sect.D, 56, 2000
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5WRN
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2KSU
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6T65
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6T6P
 | | Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-18 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T6N
 | | Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ... | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-18 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T77
 | | Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution | | Descriptor: | 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-21 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T5X
 | | Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Vella, P, Schnell, R, Schneider, G. | | Deposit date: | 2019-10-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T62
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6T7M
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6T60
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8BWI
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 2 | | Descriptor: | Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWD
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 1 | | Descriptor: | SULFATE ION, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWN
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV) | | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-07 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWL
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium | | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWA
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with platinum | | Descriptor: | PLATINUM (II) ION, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWM
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV) | | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-07 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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4LH6
 | | Crystal structure of a LigA inhibitor | | Descriptor: | 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide, ACETATE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ... | | Authors: | Benenato, K, Wang, H, Mcguire, H.M, Davis, H, Gao, N, Prince, D.B, Jahic, H, Stokes, S.S, Boriack-Sjodin, P.A. | | Deposit date: | 2013-06-30 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.
Bioorg.Med.Chem.Lett., 24, 2014
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5IWC
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3 [4-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] | | Descriptor: | 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Schnell, R, Maric, S, Lindqvist, Y, Schneider, G. | | Deposit date: | 2016-03-22 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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