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9ATH
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Crystal structure of MERS 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor
分子名称: (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
登録日2024-02-26
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
9AT6
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Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor
分子名称: (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ...
著者Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
登録日2024-02-26
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
1G9H
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TERNARY COMPLEX BETWEEN PSYCHROPHILIC ALPHA-AMYLASE, COMII (PSEUDO TRI-SACCHARIDE FROM BAYER) AND TRIS (2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-beta-D-glucopyranose, ALPHA-AMYLASE, ...
著者Aghajari, N, Roth, M, Haser, R.
登録日2000-11-23
公開日2002-06-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic evidence of a transglycosylation reaction: ternary complexes of a psychrophilic alpha-amylase.
Biochemistry, 41, 2002
1GAH
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GLUCOAMYLASE-471 COMPLEXED WITH ACARBOSE
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ...
著者Aleshin, A.E, Stoffer, B, Firsov, L.M, Svensson, B, Honzatko, R.B.
登録日1996-03-06
公開日1996-08-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism.
Biochemistry, 35, 1996
5OY0
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Structure of synechocystis photosystem I trimer at 2.5A resolution
分子名称: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Nelson, N, Malavath, T, Caspy, I.
登録日2017-09-07
公開日2018-02-21
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis.
Biochim. Biophys. Acta, 1859, 2018
1ULV
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BU of 1ulv by Molmil
Crystal Structure of Glucodextranase Complexed with Acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, glucodextranase
著者Mizuno, M, Tonozuka, T, Suzuki, S, Uotsu-Tomita, R, Kamitori, S, Nishikawa, A, Sakano, Y.
登録日2003-09-16
公開日2003-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural insights into substrate specificity and function of glucodextranase
J.Biol.Chem., 279, 2004
6SAU
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Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance.
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, SODIUM ION, ...
著者Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tinaqi, S, Andersen, C, Davies, G.J, Wilson, K.S.
登録日2019-07-17
公開日2019-10-23
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
2OWC
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Structure of a covalent intermediate in Thermus thermophilus amylomaltase
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-alpha-glucanotransferase, GLYCEROL, ...
著者Barends, T.R.M, Bultema, J.B, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W.
登録日2007-02-16
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase.
J.Biol.Chem., 282, 2007
2X2I
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Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase with acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL
著者Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
登録日2010-01-13
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
2XFF
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BU of 2xff by Molmil
Crystal structure of Barley Beta-Amylase complexed with acarbose
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, BETA-AMYLASE
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-05-28
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
2OWW
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BU of 2oww by Molmil
Covalent intermediate in amylomaltase in complex with the acceptor analog 4-deoxyglucose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-alpha-glucanotransferase, 4-deoxy-alpha-D-glucopyranose, ...
著者Barends, T.R.M, Bultema, J.B, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W.
登録日2007-02-17
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase.
J.Biol.Chem., 282, 2007
2QPU
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Sugar tongs mutant S378P in complex with acarbose
分子名称: 1,2-ETHANEDIOL, 1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Aghajari, N, Jensen, M.H, Tranier, S, Haser, R.
登録日2007-07-25
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The 'pair of sugar tongs' site on the non-catalytic domain C of barley alpha-amylase participates in substrate binding and activity
Febs J., 274, 2007
2QMJ
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Crystral Structure of the N-terminal Subunit of Human Maltase-Glucoamylase in Complex with Acarbose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Sim, L, Rose, D.R.
登録日2007-07-16
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human intestinal maltase-glucoamylase: crystal structure of the N-terminal catalytic subunit and basis of inhibition and substrate specificity
J.Mol.Biol., 375, 2008
2R23
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Crystal structure of S25-2 Fab in complex with Kdo analogues
分子名称: D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Fab, antibody fragment (IgG1k), ...
著者Brooks, C.L, Evans, S.V.
登録日2007-08-24
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
2R1Y
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Crystal structure of S25-2 Fab in complex with Kdo analogues
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside, Fab, antibody fragment (IgG1k), ...
著者Brooks, C.L, Evans, S.V.
登録日2007-08-23
公開日2008-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
9FB2
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Gcase in complex with small molecule inhibitor 1
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Tisi, D, Cleasby, A.
登録日2024-05-11
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 2024
1MXG
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Crystal Structure of a (Ca,Zn)-dependent alpha-amylase from the hyperthermophilic archaeon Pyrococcus woesei in complex with acarbose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Linden, A, Mayans, O, Meyer-Klaucke, W, Antranikian, G, Wilmanns, M.
登録日2002-10-02
公開日2003-06-10
最終更新日2020-09-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Differential Regulation of a Hyperthermophilic alpha-Amylase with a Novel (Ca,Zn) Two-metal Center by Zinc
J.Biol.Chem., 278, 2003
2G5O
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Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
分子名称: (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
登録日2006-02-23
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
To be Published
2G20
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Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
分子名称: N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE, Renin
著者Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
登録日2006-02-15
公開日2006-06-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ketopiperazine-based renin inhibitors: optimization of the
Bioorg.Med.Chem.Lett., 16, 2006
6LGE
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Bombyx mori GH13 sucrose hydrolase complexed with acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ...
著者Miyazaki, T.
登録日2019-12-05
公開日2020-05-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-function analysis of silkworm sucrose hydrolase uncovers the mechanism of substrate specificity in GH13 subfamily 17exo-alpha-glucosidases.
J.Biol.Chem., 295, 2020
2G44
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Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-1M-G and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide
分子名称: 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
登録日2006-02-21
公開日2007-01-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and characterization of novel estrogen receptor agonist ligands and development of biochips for nuclear receptor drug discovery
Thesis, 2006
6LX1
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Potato D-enzyme complexed with Acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-1,5-anhydro-D-glucitol, 4-alpha-glucanotransferase, chloroplastic/amyloplastic, ...
著者Unno, H, Imamura, K.
登録日2020-02-10
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
3K8M
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Crystal structure of SusG with acarbose
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Koropatkin, N.M, Smith, T.J.
登録日2009-10-14
公開日2010-03-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SusG: A Unique Cell-Membrane-Associated alpha-Amylase from a Prominent Human Gut Symbiont Targets Complex Starch Molecules.
Structure, 18, 2010
3UE1
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Crystal strucuture of Acinetobacter baumanni PBP1A in complex with MC-1
分子名称: (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3UJL
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Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012

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