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4XDA
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BU of 4xda by Molmil
Vibrio cholerae O395 Ribokinase complexed with Ribose, ADP and Sodium ion.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Ribokinase, SODIUM ION, ...
著者Paul, R, Patra, M.D, Sen, U.
登録日2014-12-19
公開日2015-03-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Apo and Ligand Bound Vibrio cholerae Ribokinase (Vc-RK): Role of Monovalent Cation Induced Activation and Structural Flexibility in Sugar Phosphorylation
Adv.Exp.Med.Biol., 842, 2015
4XCK
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Vibrio cholerae O395 Ribokinase complexed with ADP, Ribose and Cesium ion.
分子名称: ADENOSINE-5'-DIPHOSPHATE, CESIUM ION, Ribokinase, ...
著者Paul, R, Patra, M.D, Sen, U.
登録日2014-12-18
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal Structure of Apo and Ligand Bound Vibrio cholerae Ribokinase (Vc-RK): Role of Monovalent Cation Induced Activation and Structural Flexibility in Sugar Phosphorylation.
Adv. Exp. Med. Biol., 842, 2015
5EY7
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BU of 5ey7 by Molmil
Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
分子名称: Fructokinase, SODIUM ION
著者Paul, R, Nath, S, Sen, U.
登録日2015-11-24
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.461 Å)
主引用文献Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
To Be Published
5F11
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Crystal structure of Fructokinase from Vibrio cholerae O395 in fructose bound form
分子名称: Fructokinase, SODIUM ION, beta-D-fructofuranose
著者Paul, R, Nath, S, Sen, U.
登録日2015-11-28
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
To Be Published
5EYN
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BU of 5eyn by Molmil
Crystal structure of Fructokinase from Vibrio cholerae O395 in fructose, ADP, Beryllium trifluoride and calcium ion bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ...
著者Paul, R, Nath, S, Sen, U.
登録日2015-11-25
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.289 Å)
主引用文献Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
To Be Published
5F0Z
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BU of 5f0z by Molmil
Crystal structure of Fructokinase from Vibrio cholerae O395 in fructose, ADP and calcium ion bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Fructokinase, ...
著者Paul, R, Nath, S, Sen, U.
登録日2015-11-28
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
To Be Published
4X8F
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BU of 4x8f by Molmil
Vibrio cholerae O395 Ribokinase in apo form
分子名称: Ribokinase
著者Paul, R, Patra, M.D, Sen, U.
登録日2014-12-10
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal Structure of Apo and Ligand Bound Vibrio choleraeRibokinase (Vc-RK): Role of Monovalent Cation Induced Activation and Structural Flexibility in Sugar Phosphorylation
Adv Exp Med Biol., 842, 2015
5YGG
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BU of 5ygg by Molmil
Crystal structure of Fructokinase Double-Mutant (T261C-H108C) from Vibrio cholerae O395 in fructose, ADP and potassium ion bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Fructokinase, ...
著者Chatterjee, S, Paul, R, Nath, S, Sen, U.
登録日2017-09-22
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.671 Å)
主引用文献Large-scale conformational changes and redistribution of surface negative charge upon sugar binding dictate the fidelity of phosphorylation in Vibrio cholerae fructokinase.
Sci Rep, 8, 2018
1FUE
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BU of 1fue by Molmil
FLAVODOXIN FROM HELICOBACTER PYLORI
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Freigang, J, Diederichs, K, Schaefer, K.P, Welte, W, Paul, R.
登録日2000-09-15
公開日2002-02-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of oxidized flavodoxin, an essential protein in Helicobacter pylori.
Protein Sci., 11, 2002
2BOK
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BU of 2bok by Molmil
Factor Xa - cation
分子名称: COAGULATION FACTOR X, SODIUM ION, [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM
著者Morgenthaler, M, Schaerer, K, Paulini, R, Obst-Sander, U, Banner, D.W, Schlatter, D, Benz, J, Stihle, M, Diederich, F.
登録日2005-04-12
公開日2005-06-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Quantification of Cation-Pi Interactions in Protein-Ligand Complexes: Crystal-Structure Analysis of Factor Xa Bound to a Quaternary Ammonium Ion Ligand
Angew.Chem.Int.Ed.Engl., 44, 2005
1X6W
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BU of 1x6w by Molmil
Solution Structure of the DNA Duplex TGCGCA:TGCGCA Capped by Trimethoxystilbene Residues
分子名称: 5'-D(*(TMS)P*TP*GP*CP*GP*CP*A)-3'
著者Tuma, J, Paulini, R, Sttz, J, Richert, C.
登録日2004-08-12
公開日2004-10-05
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献How much pi-stacking do DNA termini seek? Solution structure of a self-complementary DNA hexamer with trimethoxystilbenes capping the terminal base pairs.
Biochemistry, 43, 2004
1W25
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BU of 1w25 by Molmil
Response regulator PleD in complex with c-diGMP
分子名称: 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), MAGNESIUM ION, STALKED-CELL DIFFERENTIATION CONTROLLING PROTEIN, ...
著者Chan, C, Schirmer, T, Jenal, U.
登録日2004-06-28
公開日2004-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis of Activity and Allosteric Control of Diguanylate Cyclase
Proc.Natl.Acad.Sci.USA, 101, 2004
2V0N
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BU of 2v0n by Molmil
ACTIVATED RESPONSE REGULATOR PLED IN COMPLEX WITH C-DIGMP AND GTP- ALPHA-S
分子名称: 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), BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, ...
著者Wassmann, P, Schirmer, T.
登録日2007-05-15
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure of Bef3--Modified Response Regulator Pled: Implications for Diguanylate Cyclase Activation, Catalysis, and Feedback Inhibition
Structure, 15, 2007
8P1V
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BU of 8p1v by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound 2
分子名称: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8P1W
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8P4H
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BU of 8p4h by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A
分子名称: 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-21
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8P1T
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BU of 8p1t by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470
分子名称: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.442 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
分子名称: cystine knot (fluoropropylated)
著者Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
登録日2018-02-09
公開日2019-08-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
3U81
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Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase
分子名称: Catechol O-methyltransferase, POTASSIUM ION, S-ADENOSYL-L-HOMOCYSTEINE
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2011-10-15
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.
Acta Crystallogr.,Sect.D, 68, 2012
3S68
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Rat COMT in complex with SAM and Tolcapone at 1.85A, P3221, Rfree=22.0
分子名称: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2011-05-25
公開日2012-02-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
3OE4
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Rat catechol O-methyltransferase in complex with a catechol-type, purine-containing bisubstrate inhibitor - humanized form
分子名称: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2010-08-12
公開日2011-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
3OZS
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Rat catechol O-methyltransferase in complex with a catechol-type, trifluoromethyl-imidazolyl-containing inhibitor - humanized form
分子名称: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2010-09-27
公開日2011-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
3NW9
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Rat COMT in complex with a methylpurin-containing bisubstrate inhibitor
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2010-07-09
公開日2011-03-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
3OZR
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Rat catechol O-methyltransferase in complex with a catechol-type, bisubstrate inhibitor, no substituent in the adenine site - humanized form
分子名称: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2010-09-27
公開日2011-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
3NWE
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Rat COMT in complex with a methylated desoxyribose bisubstrate-containing inhibitor avoids hydroxyl group
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-3-[(2R,3R,4R,5R)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide, CHLORIDE ION, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2010-07-09
公開日2011-08-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012

 

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