1C3E
 
 | | NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. | | Descriptor: | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | | Authors: | Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 1999-07-27 | | Release date: | 1999-12-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
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8X22
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | | Deposit date: | 2023-11-09 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations.
Sci Rep, 14, 2024
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8X21
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:ETV-TP ternary complex | | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | | Deposit date: | 2023-11-09 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations.
Sci Rep, 14, 2024
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1C2T
 | | NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLASE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. | | Descriptor: | 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | | Authors: | Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 1999-07-26 | | Release date: | 2000-01-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
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1C4T
 | | CATALYTIC DOMAIN FROM TRIMERIC DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE | | Descriptor: | PROTEIN (DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE), SULFATE ION | | Authors: | Knapp, J.E, Carroll, D, Lawson, J.E, Ernst, S.R, Reed, L.J, Hackert, M.L. | | Deposit date: | 1999-09-22 | | Release date: | 2000-02-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Expression, purification, and structural analysis of the trimeric form of the catalytic domain of the Escherichia coli dihydrolipoamide succinyltransferase.
Protein Sci., 9, 2000
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6OTS
 | | Rat ERK2 E320K | | Descriptor: | Mitogen-activated protein kinase 1 | | Authors: | Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H. | | Deposit date: | 2019-05-03 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6EYU
 | | Crystal structure of the inward H(+) pump xenorhodopsin | | Descriptor: | Bacteriorhodopsin, EICOSANE, RETINAL, ... | | Authors: | Kovalev, K, Shevchenko, V, Polovinkin, V, Mager, T, Gushchin, I, Melnikov, I, Borshchevskiy, V, Popov, A, Alekseev, A, Gordeliy, V. | | Deposit date: | 2017-11-13 | | Release date: | 2017-12-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inward H(+) pump xenorhodopsin: Mechanism and alternative optogenetic approach.
Sci Adv, 3, 2017
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6F38
 | | Cryo-EM structure of two dynein tail domains bound to dynactin and HOOK3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ... | | Authors: | Lau, C.K, Urnavicius, L, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P. | | Deposit date: | 2017-11-28 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Cryo-EM shows how dynactin recruits two dyneins for faster movement.
Nature, 554, 2018
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6FFT
 | | Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2018-01-09 | | Release date: | 2019-01-02 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
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5UI4
 | | Structure of NME1 covalently conjugated to imidazole fluorosulfate | | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-01-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
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8FOU
 | | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-tube | | Descriptor: | Virion-associated protein | | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | | Deposit date: | 2023-01-03 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
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8FOY
 | | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-sheath | | Descriptor: | Tail sheath protein | | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | | Deposit date: | 2023-01-03 | | Release date: | 2024-01-17 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
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3DWF
 | | Crystal Structure of the Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1 Mutant F278E | | Descriptor: | 11-beta-hydroxysteroid dehydrogenase 1, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lawson, A.J, Ride, J.P, White, S.A, Walker, E.A. | | Deposit date: | 2008-07-22 | | Release date: | 2009-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutations of key hydrophobic surface residues of 11 beta-hydroxysteroid dehydrogenase type 1 increase solubility and monodispersity in a bacterial expression system
Protein Sci., 18, 2009
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6D45
 | | L89S Mutant of FeBMb Sperm Whale Myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bhagi-Damodaran, A, Mirts, E.N, Sandoval, B, Lu, Y. | | Deposit date: | 2018-04-17 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Heme redox potentials hold the key to reactivity differences between nitric oxide reductase and heme-copper oxidase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FBL
 | | NMR Solution Structure of MINA-1(254-334) | | Descriptor: | MINA-1 | | Authors: | Michel, E, Allain, F. | | Deposit date: | 2017-12-19 | | Release date: | 2019-01-30 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | MINA-1 and WAGO-4 are part of regulatory network coordinating germ cell death and RNAi in C. elegans.
Cell Death Differ., 26, 2019
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9FMT
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9FP2
 | | Cryo-EM structure of the BcsEFRQ regulatory subcomplex for E. coli cellulose secretion in non-saturating c-di-GMP (local) | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-5'-TRIPHOSPHATE, Cell division protein, ... | | Authors: | Anso, I, Krasteva, P.V. | | Deposit date: | 2024-06-12 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Structural basis for synthase activation and cellulose modification in the E. coli Type II Bcs secretion system.
Nat Commun, 15, 2024
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8DD0
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9FP0
 | | Cryo-EM structure of the 'crown'less Bcs macrocomplex for E. coli cellulose secretion in non-saturating c-di-GMP (local) | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-5'-TRIPHOSPHATE, Cell division protein, ... | | Authors: | Anso, I, Krasteva, P.V. | | Deposit date: | 2024-06-12 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structural basis for synthase activation and cellulose modification in the E. coli Type II Bcs secretion system.
Nat Commun, 15, 2024
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9FMZ
 | | Cryo-EM structure of the c-di-GMP-bound synthase:pEtN transferase complex (BcsA-Bct-G3) from the E. coli cellulose secretion macrocomplex | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cellulose biosynthesis protein BcsG, Cellulose synthase catalytic subunit [UDP-forming], ... | | Authors: | Anso, I, Krasteva, P.V. | | Deposit date: | 2024-06-07 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for synthase activation and cellulose modification in the E. coli Type II Bcs secretion system.
Nat Commun, 15, 2024
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6FWZ
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-07 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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9FMV
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8PZ7
 | | crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57 | | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2023-07-27 | | Release date: | 2023-08-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
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8PZ9
 | | Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55 | | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2023-07-27 | | Release date: | 2023-08-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
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9BZ0
 | | Structure of an STK19-containing TC-NER complex | | Descriptor: | DET1- and DDB1-associated protein 1, DNA (35-MER), DNA (49-MER), ... | | Authors: | Mevissen, T.E.T, Kuemmecke, M, Farnung, L, Walter, J.C. | | Deposit date: | 2024-05-24 | | Release date: | 2024-12-25 | | Last modified: | 2025-01-15 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | STK19 positions TFIIH for cell-free transcription-coupled DNA repair.
Cell, 187, 2024
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