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3M4Y
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BU of 3m4y by Molmil
Structural characterization of the subunit A mutant P235A of the A-ATP synthase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
著者Manimekalai, M.S, Balakrishna, A.M, Kumar, A, Priya, R, Biukovic, G, Jeyakanthan, J, Gruber, G.
登録日2010-03-12
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献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
3I4L
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BU of 3i4l by Molmil
Structural characterization for the nucleotide binding ability of subunit A with AMP-PNP of the A1AO ATP synthase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ...
著者Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Jeyakanthan, J, Gruber, G.
登録日2009-07-01
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
1TRH
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BU of 1trh by Molmil
TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
著者Grochulski, P, Cygler, M.
登録日1993-11-18
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two conformational states of Candida rugosa lipase.
Protein Sci., 3, 1994
3ND8
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BU of 3nd8 by Molmil
Structural characterization for the nucleotide binding ability of subunit A of the A1AO ATP synthase
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ...
著者Kumar, A, Gruber, G.
登録日2010-06-07
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
3QG1
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BU of 3qg1 by Molmil
Crystal structure of P-loop G239A mutant of subunit A of the A1AO ATP synthase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, V-type ATP synthase alpha chain
著者Ragunathan, P, Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G.
登録日2011-01-24
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
3QIA
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BU of 3qia by Molmil
Crystal structure of P-loop G237A mutant of subunit A of the A1AO ATP synthase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
著者Ragunathan, P, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G.
登録日2011-01-26
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
7V4O
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BU of 7v4o by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
分子名称: 3,6,9,12,15-PENTAOXAHEPTADECANE, Beta-hydroxylase
著者Li, T.L, Saeid, M.Z.
登録日2021-08-13
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
7V4N
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BU of 7v4n by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
分子名称: Beta-hydroxylase, FE (III) ION
著者Li, T.L, Saeid, M.Z.
登録日2021-08-13
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
7V4M
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BU of 7v4m by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
分子名称: 2-OXOGLUTARIC ACID, Beta-hydroxylase, FE (III) ION, ...
著者Li, T.L, Saeid, M.Z.
登録日2021-08-13
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
7V4P
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BU of 7v4p by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
分子名称: Beta-hydroxylase, FE (III) ION
著者Li, T.L, Saeid, M.Z.
登録日2021-08-13
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
7VSA
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BU of 7vsa by Molmil
E. coli Ribonuclease HI in complex with two Mg2+
分子名称: GLYCEROL, MAGNESIUM ION, Ribonuclease HI, ...
著者Liao, Z, Oyama, T.
登録日2021-10-26
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7VSB
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BU of 7vsb by Molmil
E. coli Ribonuclease HI in complex with one Zn2+ (His124 N-delta binding)
分子名称: Ribonuclease HI, ZINC ION
著者Liao, Z, Oyama, T.
登録日2021-10-26
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7VSC
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BU of 7vsc by Molmil
E. coli Ribonuclease HI in complex with one Mg2+ (1)
分子名称: MAGNESIUM ION, Ribonuclease HI, SULFATE ION
著者Liao, Z, Oyama, T.
登録日2021-10-26
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7VSD
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BU of 7vsd by Molmil
E. coli Ribonuclease HI in complex with one Mg2+ (2)
分子名称: MAGNESIUM ION, Ribonuclease HI, SULFATE ION
著者Liao, Z, Oyama, T.
登録日2021-10-26
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7VSE
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BU of 7vse by Molmil
E. coli Ribonuclease HI in complex one Zn2+ (His124 N-epsilon binding)
分子名称: GLYCEROL, Ribonuclease HI, SULFATE ION, ...
著者Liao, Z, Oyama, T.
登録日2021-10-26
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
2ZNO
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BU of 2zno by Molmil
Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703
分子名称: (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
著者Oyama, T, Waku, T, Kasuga, J, Miyachi, H, Morikawa, K.
登録日2008-04-30
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
8GRI
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BU of 8gri by Molmil
Orf1-E312A-glycine-glycylthricin
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
著者Wang, Y.L, Li, T.L.
登録日2022-09-01
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.365 Å)
主引用文献N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7W36
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BU of 7w36 by Molmil
Crystal structure of human Atg5 complexed with a stapled peptide
分子名称: Autophagy protein 5, Stapled ATG16L1-derived peptide
著者Kurata, I, Matoba, K, Noda, N.N.
登録日2021-11-25
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting the ATG5-ATG16L1 Protein-Protein Interaction with a Hydrocarbon-Stapled Peptide Derived from ATG16L1 for Autophagy Inhibition.
J.Am.Chem.Soc., 144, 2022
7XQA
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BU of 7xqa by Molmil
Orf1-glycine complex
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase
著者Wang, Y.L, Li, T.L.
登録日2022-05-07
公開日2023-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
1V3X
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BU of 1v3x by Molmil
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
分子名称: (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, ...
著者Suzuki, M.
登録日2003-11-07
公開日2004-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
7XYE
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BU of 7xye by Molmil
The apo structure of Orf1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase
著者Wang, Y.L, Li, T.L.
登録日2022-06-01
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.482 Å)
主引用文献N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XXC
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BU of 7xxc by Molmil
Orf1-glycine-glycylthricin complex
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
著者Wang, Y.L, Li, T.L.
登録日2022-05-29
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.989 Å)
主引用文献N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
8II1
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Crystal structure of V30M-TTR in complex with BID
分子名称: Benziodarone, Transthyretin
著者Yokoyama, T.
登録日2023-02-24
公開日2023-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8II3
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Crystal structure of V30M-TTR in complex with 6-hydroxy BID
分子名称: Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
著者Yokoyama, T.
登録日2023-02-24
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8II4
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Crystal structure of V30M-TTR in complex with 6-hydroxy BBM
分子名称: Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
著者Yokoyama, T.
登録日2023-02-24
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023

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