4Q1F
 
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide} | | Descriptor: | Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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4Q1C
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol} | | Descriptor: | 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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3NBA
 | | Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP) | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, Phosphopantetheine adenylyltransferase | | Authors: | Wubben, T.J, Mesecar, A.D. | | Deposit date: | 2010-06-03 | | Release date: | 2010-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis.
J.Mol.Biol., 404, 2010
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4Q7E
 | | Non-phosphorylated HemR Receiver Domain from Leptospira biflexa | | Descriptor: | GLYCEROL, Response regulator of a two component regulatory system, SULFATE ION | | Authors: | Morero, N.R, Buschiazzo, A. | | Deposit date: | 2014-04-24 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.441 Å) | | Cite: | HemR is an OmpR/PhoB-like response regulator from Leptospira, which simultaneously effects transcriptional activation and repression of key haem metabolism genes.
Mol.Microbiol., 94, 2014
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8UBY
 | | Choline-bound FLVCR1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, CHOLINE ION, Heme transporter FLVCR1 | | Authors: | Hite, R.K, Son, Y. | | Deposit date: | 2023-09-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
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8UBZ
 | | Choline-bound FLVCR1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, CHOLINE ION, Heme transporter FLVCR1 | | Authors: | Hite, R.K, Son, Y. | | Deposit date: | 2023-09-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
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8UBX
 | | Ethanolamine-bound FLVCR1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, ETHANOLAMINE, Heme transporter FLVCR1 | | Authors: | Hite, R.K, Son, Y. | | Deposit date: | 2023-09-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
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8UBW
 | | Choline-bound FLVCR1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, CHOLINE ION, Heme transporter FLVCR1 | | Authors: | Hite, R.K, Son, Y. | | Deposit date: | 2023-09-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
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8UC0
 | | Endogenous ligand bound FLVCR1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Heme transporter FLVCR1 | | Authors: | Hite, R.K, Son, Y. | | Deposit date: | 2023-09-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
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3QVS
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild type | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-25 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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6TGA
 | | Cryo-EM Structure of as isolated form of NAD+-dependent Formate Dehydrogenase from Rhodobacter capsulatus | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Wendler, P, Radon, C, Mittelstaedt, G. | | Deposit date: | 2019-11-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Cryo-EM structures reveal intricate Fe-S cluster arrangement and charging in Rhodobacter capsulatus formate dehydrogenase.
Nat Commun, 11, 2020
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3QW2
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus mutant N255A | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-26 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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8TQM
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3QVW
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-26 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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4Q1D
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine} | | Descriptor: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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3OH3
 | | Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE -Arabinose | | Descriptor: | GLYCEROL, UDP-sugar pyrophosphorylase, [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate | | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | | Deposit date: | 2010-08-17 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
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3OH2
 | | Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE-GALACTOSE | | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, UDP-sugar pyrophosphorylase | | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | | Deposit date: | 2010-08-17 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
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8TQS
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3OH1
 | | Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE-Galacturonic acid | | Descriptor: | (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, GLYCEROL, UDP-sugar pyrophosphorylase | | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | | Deposit date: | 2010-08-17 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
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3OH4
 | | Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE Glucose | | Descriptor: | GLYCEROL, UDP-sugar pyrophosphorylase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F.H, Ficner, R. | | Deposit date: | 2010-08-17 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major.
J.Mol.Biol., 405, 2011
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8TW0
 | | Crystal Structure of a synthetic ABC heterotrimeric Collagen-like Peptide at 1.53 A | | Descriptor: | Collagen Mimetic Peptide A, Collagen Mimetic Peptide B, Collagen Mimetic Peptide C, ... | | Authors: | Miller, M.D, Cole, C.C, Xu, W, Walker, D.R, Hulgan, S.A.H, Pogostin, B.H, Swain, J.W.R, Duella, R, Misiura, M, Wang, X, Kolomeisky, A.B, Phillips Jr, G.N, Hartgerink, J.D. | | Deposit date: | 2023-08-18 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Heterotrimeric Collagen Helix with High Specificity of Assembly Results in a Rapid Rate of Folding
Nat.Chem., 2024
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6TFJ
 | | Vip3Aa protoxin structure | | Descriptor: | Vegetative insecticidal protein | | Authors: | Nunez-Ramirez, R, Huesa, J, Bel, Y, Ferre, J, Casino, P, Arias-Palomo, E. | | Deposit date: | 2019-11-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular architecture and activation of the insecticidal protein Vip3Aa from Bacillus thuringiensis.
Nat Commun, 11, 2020
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4PY7
 | | Crystal Structure of Fab 3.1 | | Descriptor: | antibody 3.1 heavy chain, antibody 3.1 light chain | | Authors: | Dreyfus, C. | | Deposit date: | 2014-03-26 | | Release date: | 2014-05-21 | | Last modified: | 2014-06-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a VH3-30-Encoded Heterosubtypic Antibody.
J.Virol., 88, 2014
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3R1R
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3RSR
 | | Crystal Structure of 5-NITP Inhibition of Yeast Ribonucleotide Reductase | | Descriptor: | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO-1H-INDOLE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large chain 1 | | Authors: | Wan, Q, Mohammed, F, Jha, S, Motea, E, Berdis, A, Dealwis, C.G. | | Deposit date: | 2011-05-02 | | Release date: | 2012-11-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evaluating the therapeutic potential of a non-natural nucleotide that inhibits human ribonucleotide reductase.
Mol.Cancer Ther., 11, 2012
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