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7YY0
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with 4'-phosphopantetheine
分子名称: 4'-PHOSPHOPANTETHEINE, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY1
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Mycobacterium abscessus Phosphopantetheine adenylyltransferase ternary complex with 4'-phosphopantetheine & non-hydrolyzable ATP analogue (AMPCPP)
分子名称: 4'-PHOSPHOPANTETHEINE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
3J25
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Structural basis for TetM-mediated tetracycline resistance
分子名称: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Tetracycline resistance protein tetM
著者Doenhoefer, A, Franckenberg, S, Wickles, S, Berninghausen, O, Beckmann, R, Wilson, D.N.
登録日2012-08-22
公開日2012-10-17
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Structural basis for TetM-mediated tetracycline resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
5FHM
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Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at resolution 1.55 A resolution
分子名称: (2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Kastrup, J.S, Frydenvang, K, Al-musaed, A.
登録日2015-12-22
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
5FHN
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Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 1.6 A resolution
分子名称: (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2015-12-22
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
6S5M
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Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-n-propyl-2,3,4,9-tetrahydro-1H-beta-carboline
分子名称: (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase
著者Eger, E, Sharma, M, Kroutil, W, Grogan, G.
登録日2019-07-02
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions.
J.Am.Chem.Soc., 142, 2020
6S5J
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Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-Ethyl-2,3,4,9-tetrahydro-1H-beta-carboline
分子名称: (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase
著者Eger, E, Sharma, M, Kroutil, W, Grogan, G.
登録日2019-07-01
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions.
J.Am.Chem.Soc., 142, 2020
6S5Q
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Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-isobutyl-2,3,4,9-tetrahydro-1H-beta-carboline
分子名称: (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase
著者Eger, E, Sharma, M, Kroutil, W, Grogan, G.
登録日2019-07-02
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions.
J.Am.Chem.Soc., 142, 2020
6CW7
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BU of 6cw7 by Molmil
E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-03-30
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6TGE
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BU of 6tge by Molmil
NADP dependent methylene-tetrahydromethanopterin dehydrogenase-NADP+-methenyl-H4MPT+ complex
分子名称: 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional NADP-dependent methylenetetrahydromethanopterin dehydrogenase/methylenetetrahydrofolate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Ermler, U, Shima, S.
登録日2019-11-15
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
4LKV
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BU of 4lkv by Molmil
Determinants of lipid substrate and membrane binding for the tetraacyldisaccharide-1-phosphate 4 -kinase LpxK
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Emptage, R.P, Tonthat, N.K, York, J.D, Schumacher, M.A, Zhou, P.
登録日2013-07-08
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5109 Å)
主引用文献Structural Basis of Lipid Binding for the Membrane-embedded Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK.
J.Biol.Chem., 289, 2014
6BU3
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BU of 6bu3 by Molmil
CTX-M-27 Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor
分子名称: Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, SULFATE ION
著者Pemberton, O.A, Chen, Y.
登録日2017-12-08
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases.
Antimicrob. Agents Chemother., 62, 2018
6BT6
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CTX-M-14 S237A Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor
分子名称: Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
著者Pemberton, O.A, Chen, Y.
登録日2017-12-05
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases.
Antimicrob. Agents Chemother., 62, 2018
3J9Y
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BU of 3j9y by Molmil
Cryo-EM structure of tetracycline resistance protein TetM bound to a translating E.coli ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Arenz, S, Nguyen, F, Beckmann, R, Wilson, D.N.
登録日2015-03-23
公開日2015-04-15
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of the tetracycline resistance protein TetM in complex with a translating ribosome at 3.9- angstrom resolution.
Proc.Natl.Acad.Sci.USA, 112, 2015
3KEC
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BU of 3kec by Molmil
Crystal Structure of Human MMP-13 complexed with a phenyl-2H-tetrazole compound
分子名称: 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
著者Shieh, H.-S, Pavlovsky, A.G, Collins, B, Schnute, M.E.
登録日2009-10-25
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
6TLK
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Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in an open conformation containing NADP+ and methylene-H4MPT
分子名称: 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, CHLORIDE ION, ...
著者Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S.
登録日2019-12-02
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
6TM3
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Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in a close conformation containing NADP+ and methylene-H4MPT
分子名称: 1,2-ETHANEDIOL, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, ...
著者Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S.
登録日2019-12-03
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
6TSG
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BU of 6tsg by Molmil
Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC
分子名称: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-12-20
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma.
J.Med.Chem., 63, 2020
3LS4
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BU of 3ls4 by Molmil
Crystal Structure of Anti-tetrahydrocannabinol Fab Fragment in Complex with THC
分子名称: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Heavy chain of antibody Fab fragment, Light chain of antibody Fab fragment
著者Niemi, M.H, Rouvinen, J.
登録日2010-02-12
公開日2010-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural insight into the molecular recognition of a (-)-Delta9-tetrahydrocannabinol and the development of a sensitive, one-step, homogeneous immunocomplex-based assay for its detection
J.Mol.Biol., 400, 2010
5UP0
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BU of 5up0 by Molmil
Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one)
分子名称: 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
著者Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K.
登録日2017-02-01
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
6L8A
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BU of 6l8a by Molmil
Tetrathionate hydrolase from Acidithiobacillus ferrooxidans
分子名称: BETA-ALANINE, GLYCINE, SULFATE ION, ...
著者Tamada, T, Hirano, Y.
登録日2019-11-05
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95004809 Å)
主引用文献Reaction mechanism of tetrathionate hydrolysis based on the crystal structure of tetrathionate hydrolase from Acidithiobacillus ferrooxidans.
Protein Sci., 30, 2020
6ETS
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BU of 6ets by Molmil
Crystal structure of KDM4D with tetrazolhydrazide compound 1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ...
著者Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U.
登録日2017-10-27
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.333 Å)
主引用文献Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
6ETT
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Crystal structure of KDM4D with tetrazole compound 4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ...
著者Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U.
登録日2017-10-27
公開日2019-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.257 Å)
主引用文献Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
6ETV
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Crystal structure of KDM4D with tetrazolhydrazide compound 2
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U.
登録日2017-10-27
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
6ETU
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Crystal structure of KDM4D with tetrazolhydrazide compound 7
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ...
著者Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U.
登録日2017-10-27
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019

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