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4K02
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BU of 4k02 by Molmil
Crystal structure of AtDHNAT1, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Arabidopsis thaliana
分子名称: 1,4-dihydroxy-2-naphthoyl-CoA thioesterase
著者Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A.
登録日2013-04-03
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
1QY7
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The structure of the PII protein from the cyanobacteria Synechococcus sp. PCC 7942
分子名称: NICKEL (II) ION, Nitrogen regulatory protein P-II, SULFATE ION
著者Xu, Y, Carr, P.D, Clancy, P, Garcia-Dominguez, M, Forchhammer, K, Florencio, F, Tandeau de Marsac, N, Vasudevan, S.G, Ollis, D.L.
登録日2003-09-09
公開日2003-09-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structures of the PII proteins from the cyanobacteria Synechococcus sp. PCC 7942 and Synechocystis sp. PCC 6803.
Acta Crystallogr.,Sect.D, 59, 2003
2WF3
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BU of 2wf3 by Molmil
Human BACE-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-1, 3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide
分子名称: BETA-SECRETASE 1, GLYCEROL, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE
著者Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-19
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009
4JEC
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BU of 4jec by Molmil
Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir
分子名称: CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Kovalevsky, A.Y, Weber, I.T, Langan, P.
登録日2013-02-26
公開日2013-07-24
最終更新日2024-02-28
実験手法NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION
主引用文献Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
J.Med.Chem., 56, 2013
4JMQ
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Crystal structure of pb9: The Dit of bacteriophage T5.
分子名称: Bacteriophage T5 distal tail protein
著者Flayhan, A, Vellieux, F.M.D, Girard, E, Maury, O, Boulanger, P, Breyton, C.
登録日2013-03-14
公開日2013-11-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Crystal Structure of pb9, the Distal Tail Protein of Bacteriophage T5: a Conserved Structural Motif among All Siphophages.
J.Virol., 88, 2014
4A56
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Crystal structure of the type 2 secretion system pilotin from Klebsiella Oxytoca
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, PULLULANASE SECRETION PROTEIN PULS
著者Tosi, T, Nickerson, N.N, Mollica, L, RingkjobingJensen, M, Blackledge, M, Baron, B, England, P, Pugsley, A.P, Dessen, A.
登録日2011-10-24
公開日2011-12-07
最終更新日2011-12-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Pilotin-Secretin Recognition in the Type II Secretion System of Klebsiella Oxytoca.
Mol.Microbiol, 82, 2011
2WEZ
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Human BACE-1 in complex with 1-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-4-(2-oxo-1- pyrrolidinyl)-1H-indole-6-carboxamide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE
著者Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-19
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics.
Bioorg.Med.Chem.Lett., 19, 2009
4K00
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Crystal structure of Slr0204, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Synechocystis
分子名称: 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoyl-CoA hydrolase
著者Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A.
登録日2013-04-03
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
1UL3
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BU of 1ul3 by Molmil
Crystal Structure of PII from Synechocystis sp. PCC 6803
分子名称: CALCIUM ION, GLYCEROL, Nitrogen regulatory protein P-II
著者Xu, Y, Carr, P.D, Clancy, P, Garcia-Dominguez, M, Forchhammer, K, Florencio, F, Tandeau de Marsac, N, Vasudevan, S.G, Ollis, D.L.
登録日2003-09-09
公開日2003-12-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structures of the PII proteins from the cyanobacteria Synechococcus sp. PCC 7942 and Synechocystis sp. PCC 6803.
Acta Crystallogr.,Sect.D, 59, 2003
2WF4
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Human BACE-1 in complex with 6-ethyl-1-methyl-N-((1S)-2-oxo-1-(phenylmethyl)-3-(tetrahydro-2H-pyran-4-ylamino)propyl)-1,3,4,6- tetrahydro(1,2)thiazepino(5,4,3-cd)indole-8-carboxamide 2,2-dioxide
分子名称: BETA-SECRETASE 1, N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE
著者Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-12
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 3: Towards Non Hydroxyethylamine Transition State Mimetics.
Bioorg.Med.Chem.Lett., 19, 2009
2WF1
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Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
著者Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-19
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009
2WF2
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Human BACE-1 in complex with 8-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4,7, 8-tetrahydro-1H,6H-(1,2,5)thiadiazepino(5,4,3-de)quinoxaline-10- carboxamide 2,2-dioxide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE
著者Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-19
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009
2WF0
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Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE
著者Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-19
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics.
Bioorg.Med.Chem.Lett., 19, 2009
2W83
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Crystal structure of the ARF6 GTPase in complex with a specific effector, JIP4
分子名称: 1,4-DIETHYLENE DIOXIDE, ADP-RIBOSYLATION FACTOR 6, C-JUN-AMINO-TERMINAL KINASE-INTERACTING PROTEIN 4, ...
著者Isabet, T, Montagnac, G, Regazzoni, K, Raynal, B, El Khadali, F, Franco, M, England, P, Chavrier, P, Houdusse, A, Menetrey, J.
登録日2009-01-08
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The Structural Basis of Arf Effector Specificity: The Crystal Structure of Arf6 in a Complex with Jip4.
Embo J., 28, 2009
2XFK
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Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
分子名称: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE
著者Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2010-05-24
公開日2010-07-07
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
3X2W
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Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
著者Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
登録日2015-01-02
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
3X2V
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BU of 3x2v by Molmil
Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
著者Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
登録日2015-01-02
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
2XFJ
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Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2010-05-24
公開日2010-07-07
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
2XFI
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BU of 2xfi by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide
分子名称: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE
著者Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2010-05-24
公開日2010-07-07
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
3X2U
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Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ...
著者Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
登録日2015-01-02
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
4O22
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Binary complex of metal-free PKAc with SP20.
分子名称: Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha.
著者Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S.
登録日2013-12-16
公開日2014-05-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4HKW
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Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ...
著者Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L.
登録日2012-10-15
公開日2014-01-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
5LVX
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Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
分子名称: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D.
登録日2016-09-14
公開日2017-10-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
5NGJ
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Crystal structure of pb6, major tail tube protein of bacteriophage T5
分子名称: CHLORIDE ION, Tail tube protein
著者Arnaud, C.-A, Effantin, G, Vives, C, Engilberge, S, Bacia, M, Boulanger, P, Girard, E, Schoehn, G, Breyton, C.
登録日2017-03-17
公開日2018-01-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bacteriophage T5 tail tube structure suggests a trigger mechanism for Siphoviridae DNA ejection.
Nat Commun, 8, 2017
4PDJ
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Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+
分子名称: DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ...
著者Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B.
登録日2014-04-18
公開日2015-04-15
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014

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