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2VH0
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Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs
分子名称: 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
著者Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P.
登録日2007-11-16
公開日2008-11-25
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18, 2008
4CAU
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BU of 4cau by Molmil
THREE-DIMENSIONAL STRUCTURE OF DENGUE VIRUS SEROTYPE 1 COMPLEXED WITH 2 HMAB 14C10 FAB
分子名称: ENVELOPE PROTEIN E, FAB 14C10
著者Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A.P, Tan, T.T, Yip, A, Schul, W, Aung, M, Kostyuchenko, V.A, Leo, Y.S, Chan, S.H, Smith, K.G, Chan, A.H, Zou, G, Ooi, E.E, Kemeny, D.M, Tan, G.K, Ng, J.K, Ng, M.L, Alonso, S, Fisher, D, Shi, P.Y, Hanson, B.J, Lok, S.M, Macary, P.A.
登録日2013-10-09
公開日2013-10-16
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献The Structural Basis for Serotype-Specific Neutralization of Dengue Virus by a Human Antibody.
Sci.Trans.Med, 4, 2012
4C2P
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BU of 4c2p by Molmil
Crystal structure of human testis angiotensin-I converting enzyme mutant R522K in complex with captopril
分子名称: ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ...
著者Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R.
登録日2013-08-19
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace)
J.Biol.Chem., 289, 2014
3TR1
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BU of 3tr1 by Molmil
Structure of a 3-phosphoshikimate 1-carboxyvinyltransferase (aroA) from Coxiella burnetii
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, PHOSPHATE ION, POTASSIUM ION
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4C2Q
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BU of 4c2q by Molmil
Crystal structure of human testis angiotensin-I converting enzyme mutant R522K
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ...
著者Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R.
登録日2013-08-19
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace)
J.Biol.Chem., 289, 2014
4C2N
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BU of 4c2n by Molmil
Crystal structure of human testis angiotensin-I converting enzyme mutant E403R
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ...
著者Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R.
登録日2013-08-19
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace)
J.Biol.Chem., 289, 2014
1EXD
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BU of 1exd by Molmil
CRYSTAL STRUCTURE OF A TIGHT-BINDING GLUTAMINE TRNA BOUND TO GLUTAMINE AMINOACYL TRNA SYNTHETASE
分子名称: ADENOSINE MONOPHOSPHATE, GLUTAMINE TRNA APTAMER, GLUTAMINYL-TRNA SYNTHETASE, ...
著者Bullock, T.L, Sherlin, L.D, Perona, J.J.
登録日2000-05-02
公開日2000-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tertiary core rearrangements in a tight binding transfer RNA aptamer.
Nat.Struct.Biol., 7, 2000
4C2R
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BU of 4c2r by Molmil
Crystal structure of human testis angiotensin-I converting enzyme mutant R522Q
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ...
著者Masuyer, G, Yates, C.J, Schwager, S.L.U, Mohd, A, Sturrock, E.D, Acharya, K.R.
登録日2013-08-19
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular and Thermodynamic Mechanisms of the Chloride Dependent Human Angiotensin-I Converting Enzyme (Ace)
J.Biol.Chem., 289, 2014
4NG4
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BU of 4ng4 by Molmil
Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase
著者Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2013-11-01
公開日2015-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3WA1
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BU of 3wa1 by Molmil
Crystal structure of BinB: A receptor binding component of the binary toxin from Lysinibacillus sphaericus
分子名称: BinB protein
著者Srisucharitpanit, K, Yao, M, Chimnaronk, S, Promdonkoy, B, Boonserm, P, Tanaka, I.
登録日2013-04-22
公開日2014-07-02
最終更新日2014-10-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of BinB: A receptor binding component of the binary toxin from Lysinibacillus sphaericus
Proteins, 82, 2014
4CW4
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BU of 4cw4 by Molmil
Crystal structure of the noncanonical ketosynthase FabY from P. aeruginosa
分子名称: BETA-KETOACYL SYNTHASE, CHLORIDE ION, SULFATE ION
著者Bukhari, H.S.T, Jakob, R.P, Maier, T.
登録日2014-04-01
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.349 Å)
主引用文献Evolutionary Origins of the Multienzyme Architecture of Giant Fungal Fatty Acid Synthase.
Structure, 22, 2014
1K2I
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BU of 1k2i by Molmil
Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin
分子名称: 2,4-DIHYDROXY-TRANS CINNAMIC ACID, CHYMOTRYPSINOGEN A, SULFATE ION
著者Ghani, U, Ng, K.K.S, Atta-ur-Rahman, Choudhary, M.I, Ullah, N, James, M.N.G.
登録日2001-09-27
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of gamma-chymotrypsin in complex with 7-hydroxycoumarin.
J.Mol.Biol., 314, 2001
3T0V
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BU of 3t0v by Molmil
Unliganded fluorogen activating protein M8VL
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
著者Stanfield, R, Senutovitch, N, Bhattacharyya, S, Rule, G, Wilson, I.A, Armitage, B, Waggoner, A.S, Berget, P.
登録日2011-07-20
公開日2012-03-21
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献A variable light domain fluorogen activating protein homodimerizes to activate dimethylindole red.
Biochemistry, 51, 2012
3TQW
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BU of 3tqw by Molmil
Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii
分子名称: METHIONINE, Methionine-binding protein, SULFATE ION
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRC
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BU of 3trc by Molmil
Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii
分子名称: PHOSPHATE ION, Phosphoenolpyruvate-protein phosphotransferase, SODIUM ION
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQL
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BU of 3tql by Molmil
Structure of the amino acid ABC transporter, periplasmic amino acid-binding protein from Coxiella burnetii.
分子名称: ARGININE, Arginine-binding protein, IMIDAZOLE
著者Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-10-05
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (1.594 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQR
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BU of 3tqr by Molmil
Structure of the phosphoribosylglycinamide formyltransferase (purN) in complex with CHES from Coxiella burnetii
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Phosphoribosylglycinamide formyltransferase
著者Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TR2
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BU of 3tr2 by Molmil
Structure of a orotidine 5'-phosphate decarboxylase (pyrF) from Coxiella burnetii
分子名称: Orotidine 5'-phosphate decarboxylase
著者Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRH
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BU of 3trh by Molmil
Structure of a phosphoribosylaminoimidazole carboxylase catalytic subunit (purE) from Coxiella burnetii
分子名称: Phosphoribosylaminoimidazole carboxylase carboxyltransferase subunit
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQI
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BU of 3tqi by Molmil
Structure of the GMP synthase (guaA) from Coxiella burnetii
分子名称: GMP synthase [glutamine-hydrolyzing]
著者Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQX
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BU of 3tqx by Molmil
Structure of the 2-amino-3-ketobutyrate coenzyme A ligase (kbl) from Coxiella burnetii
分子名称: 2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRD
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BU of 3trd by Molmil
Structure of an alpha-beta serine hydrolase homologue from Coxiella burnetii
分子名称: ACETATE ION, Alpha/beta hydrolase, PHOSPHATE ION, ...
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQG
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BU of 3tqg by Molmil
Structure of the 2-methylcitrate synthase (prpC) from Coxiella burnetii
分子名称: 2-methylcitrate synthase
著者Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TR5
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Structure of a peptide chain release factor 3 (prfC) from Coxiella burnetii
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor 3
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3U2O
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BU of 3u2o by Molmil
Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Lozoya, E, Segarra, V, Erra, M, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M.
登録日2011-10-04
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Biaryl analogues of teriflunomide as potent DHODH inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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