3M4Y
 
 | | Structural characterization of the subunit A mutant P235A of the A-ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | | Authors: | Manimekalai, M.S, Balakrishna, A.M, Kumar, A, Priya, R, Biukovic, G, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2010-03-12 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | The critical roles of residues P235 and F236 of subunit A of the motor protein A-ATP synthase in P-loop formation and nucleotide binding.
J.Mol.Biol., 401, 2010
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3I4L
 | | Structural characterization for the nucleotide binding ability of subunit A with AMP-PNP of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2009-07-01 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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1TRH
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3ND8
 | | Structural characterization for the nucleotide binding ability of subunit A of the A1AO ATP synthase | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ... | | Authors: | Kumar, A, Gruber, G. | | Deposit date: | 2010-06-07 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
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3QG1
 | | Crystal structure of P-loop G239A mutant of subunit A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, V-type ATP synthase alpha chain | | Authors: | Ragunathan, P, Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2011-01-24 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
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3QIA
 | | Crystal structure of P-loop G237A mutant of subunit A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | | Authors: | Ragunathan, P, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2011-01-26 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
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7V4O
 | | Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction | | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECANE, Beta-hydroxylase | | Authors: | Li, T.L, Saeid, M.Z. | | Deposit date: | 2021-08-13 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
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7V4N
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7V4M
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7V4P
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7VSA
 | | E. coli Ribonuclease HI in complex with two Mg2+ | | Descriptor: | GLYCEROL, MAGNESIUM ION, Ribonuclease HI, ... | | Authors: | Liao, Z, Oyama, T. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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7VSB
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7VSC
 | | E. coli Ribonuclease HI in complex with one Mg2+ (1) | | Descriptor: | MAGNESIUM ION, Ribonuclease HI, SULFATE ION | | Authors: | Liao, Z, Oyama, T. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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7VSD
 | | E. coli Ribonuclease HI in complex with one Mg2+ (2) | | Descriptor: | MAGNESIUM ION, Ribonuclease HI, SULFATE ION | | Authors: | Liao, Z, Oyama, T. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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7VSE
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2ZNO
 | | Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703 | | Descriptor: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Oyama, T, Waku, T, Kasuga, J, Miyachi, H, Morikawa, K. | | Deposit date: | 2008-04-30 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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8GRI
 | | Orf1-E312A-glycine-glycylthricin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | | Authors: | Wang, Y.L, Li, T.L. | | Deposit date: | 2022-09-01 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.365 Å) | | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
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7W36
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7XQA
 | | Orf1-glycine complex | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase | | Authors: | Wang, Y.L, Li, T.L. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
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1V3X
 | | Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine | | Descriptor: | (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ... | | Authors: | Suzuki, M. | | Deposit date: | 2003-11-07 | | Release date: | 2004-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element
J.Med.Chem., 47, 2004
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7XYE
 | | The apo structure of Orf1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase | | Authors: | Wang, Y.L, Li, T.L. | | Deposit date: | 2022-06-01 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.482 Å) | | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
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7XXC
 | | Orf1-glycine-glycylthricin complex | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | | Authors: | Wang, Y.L, Li, T.L. | | Deposit date: | 2022-05-29 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
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8II1
 | | Crystal structure of V30M-TTR in complex with BID | | Descriptor: | Benziodarone, Transthyretin | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.907 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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8II3
 | | Crystal structure of V30M-TTR in complex with 6-hydroxy BID | | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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8II4
 | | Crystal structure of V30M-TTR in complex with 6-hydroxy BBM | | Descriptor: | Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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