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3K13
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BU of 3k13 by Molmil
Structure of the pterin-binding domain MeTr of 5-methyltetrahydrofolate-homocysteine methyltransferase from Bacteroides thetaiotaomicron
Descriptor: 5-methyltetrahydrofolate-homocysteine methyltransferase, GLYCEROL, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ...
Authors:Cuff, M.E, Li, H, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-09-25
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the pterin-binding domain MeTr of 5-methyltetrahydrofolate-homocysteine methyltransferase from Bacteroides thetaiotaomicron
TO BE PUBLISHED
3IQZ
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BU of 3iqz by Molmil
Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin
Descriptor: 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ...
Authors:Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U.
Deposit date:2009-08-21
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
6ETW
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BU of 6etw by Molmil
Crystal structure of KDM4D with tetrazolhydrazide compound 3
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U.
Deposit date:2017-10-27
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
5UOY
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BU of 5uoy by Molmil
Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one)
Descriptor: 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[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, ...
Authors:Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K.
Deposit date:2017-02-01
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
6ETG
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BU of 6etg by Molmil
Crystal structure of KDM4D with tetrazolhydrazide compound 6
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ...
Authors:Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U.
Deposit date:2017-10-26
Release date:2019-02-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.279 Å)
Cite:Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
7KH5
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BU of 7kh5 by Molmil
Hen Egg White Lysozyme in complex with tetrabromoterephthalic acid
Descriptor: 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid, Lysozyme C
Authors:Truong, J, Nguyen, S.
Deposit date:2020-10-20
Release date:2021-04-28
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (1.295 Å)
Cite:Simplified heavy-atom derivatization of protein structures via co-crystallization with the MAD tetragon tetrabromoterephthalic acid.
Acta Crystallogr.,Sect.F, 77, 2021
4A99
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BU of 4a99 by Molmil
STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH MINOCYCLINE
Descriptor: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W.
Deposit date:2011-11-25
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Putative Dioxygen-Binding Sites and Recognition of Tigecycline and Minocycline in the Tetracycline-Degrading Monooxygenase Tetx
Acta Crystallogr.,Sect.D, 69, 2013
3IQE
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BU of 3iqe by Molmil
Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin and coenzyme F420
Descriptor: 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, COENZYME F420, ...
Authors:Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U.
Deposit date:2009-08-20
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
3ND5
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BU of 3nd5 by Molmil
Crystal structure of phosphopantetheine adenylyltransferase (PPAT) from Enterococcus faecalis
Descriptor: Phosphopantetheine adenylyltransferase
Authors:Yoon, H.J, Lee, H.H, Suh, S.W.
Deposit date:2010-06-07
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of phosphopantetheine adenylyltransferase from Enterococcus faecalis in the ligand-unbound state and in complex with ATP and pantetheine
Mol.Cells, 32, 2011
2O2U
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BU of 2o2u by Molmil
Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Descriptor: Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Authors:Somers, D, Rowland, P.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
7CJL
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BU of 7cjl by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
Descriptor: (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y.
Deposit date:2020-07-11
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
4PAA
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BU of 4paa by Molmil
Crystal structure of the mature form of rat DMGDH complexed with tetrahydrofolate
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, Dimethylglycine dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Luka, Z, Pakhomova, S, Loukachevitch, L.V, Newcomer, M.E, Wagner, C.
Deposit date:2014-04-07
Release date:2014-06-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Folate in demethylation: The crystal structure of the rat dimethylglycine dehydrogenase complexed with tetrahydrofolate.
Biochem.Biophys.Res.Commun., 449, 2014
4ZGX
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BU of 4zgx by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
Descriptor: Cytochrome P450 11B2, mitochondrial, N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide, ...
Authors:Kuglstatter, A, Joseph, C.
Deposit date:2015-04-24
Release date:2015-10-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys.
J.Med.Chem., 58, 2015
6DV4
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BU of 6dv4 by Molmil
HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2018-06-22
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands.
Eur J Med Chem, 160, 2018
7BF8
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BU of 7bf8 by Molmil
Mutant I56F of recombinant bovine beta-lactoglobulin in complex with tetracaine
Descriptor: Beta-lactoglobulin, SULFATE ION, Tetracaine
Authors:Loch, J.I, Kaczor, K, Lewinski, K.
Deposit date:2021-01-01
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BF7
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BU of 7bf7 by Molmil
Mutant L58F of recombinant bovine beta-lactoglobulin in complex with tetracaine
Descriptor: Beta-lactoglobulin, SULFATE ION, Tetracaine
Authors:Loch, J.I, Kaczor, K, Lewinski, K.
Deposit date:2021-01-01
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
4PAB
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BU of 4pab by Molmil
Crystal structure of the precursor form of rat DMGDH complexed with tetrahydrofolate
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, Dimethylglycine dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Luka, Z, Pakhomova, S, Loukachevitch, L.V, Newcomer, M.E, Wagner, C.
Deposit date:2014-04-07
Release date:2014-06-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Folate in demethylation: The crystal structure of the rat dimethylglycine dehydrogenase complexed with tetrahydrofolate.
Biochem.Biophys.Res.Commun., 449, 2014
4QPC
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BU of 4qpc by Molmil
Crystal structure of the hydrolase domain of 10-formyltetrahydrofolate dehydrogenase (Y200A) from zebrafish
Descriptor: 10-formyltetrahydrofolate dehydrogenase
Authors:Lin, C.C, Chen, C.J, Fu, T.F, Chuankhayan, P, Kao, T.T, Chang, W.N.
Deposit date:2014-06-23
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structures of the hydrolase domain of zebrafish 10-formyltetrahydrofolate dehydrogenase and its complexes reveal a complete set of key residues for hydrolysis and product inhibition.
Acta Crystallogr.,Sect.D, 71, 2015
3B6A
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BU of 3b6a by Molmil
Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with actinorhodin
Descriptor: 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid, ActR protein
Authors:Willems, A.R, Junop, M.S.
Deposit date:2007-10-28
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008
4KUM
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BU of 4kum by Molmil
Structure of LSD1-CoREST-Tetrahydrofolate complex
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Luka, Z, Pakhomova, S, Loukachevitch, L.V, Calcutt, M.W, Newcomer, M.E, Wagner, C.
Deposit date:2013-05-22
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate.
Protein Sci., 23, 2014
5BUJ
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BU of 5buj by Molmil
ERK2 complexed with a N-H tetrahydroazaindazole
Descriptor: 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
6FFF
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BU of 6fff by Molmil
Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide
Descriptor: (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Chung, C.
Deposit date:2018-01-07
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
J.Med.Chem., 61, 2018
6FFG
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BU of 6ffg by Molmil
Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone
Descriptor: (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Chung, C.
Deposit date:2018-01-07
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain.
J.Med.Chem., 61, 2018
3M2W
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BU of 3m2w by Molmil
Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor
Descriptor: 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
Authors:Kroemer, M, Revesz, L, Be, C, Izaac, A, Huppertz, C, Schlapbach, A, Scheufler, C.
Deposit date:2010-03-08
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II.
Bioorg.Med.Chem.Lett., 20, 2010
3L2B
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BU of 3l2b by Molmil
Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with activator, diadenosine tetraphosphate
Descriptor: BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase
Authors:Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R.
Deposit date:2009-12-15
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate.
J.Mol.Biol., 2010

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數據於2024-06-26公開中

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