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PDB: 159 件
4IHU
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Reduced form of disulfide bond oxdioreductase (DsbG) from Mycobacterium tuberculosis
分子名称: CHLORIDE ION, Isomerase DsbG
著者Harmston, C.A, Goulding, C.W.
登録日2012-12-19
公開日2013-10-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Structural and biochemical characterization of the essential DsbA-like disulfide bond forming protein from Mycobacterium tuberculosis.
Bmc Struct.Biol., 13, 2013
3UNO
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BU of 3uno by Molmil
Mycobacterium tuberculosis ferritin homolog, BfrB
分子名称: Probable bacterioferritin BfrB
著者McMath, L.M, Contreras, H, Goulding, C.W, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-16
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Mycobacterium tuberculosis ferritin homolog, BfrB
To be Published
4LMP
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BU of 4lmp by Molmil
Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex with N6-methyl adenosine
分子名称: Alanine dehydrogenase, GLYCEROL, N-methyladenosine, ...
著者Kim, H.-B, Hung, L.-W, Goulding, C.W, Terwilliger, T.C, Kim, C.-Y, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2013-07-10
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Drug target analysis by dye-ligand affinity chromatography
To be Published
3UOI
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BU of 3uoi by Molmil
Mycobacterium tuberculosis bacterioferritin, BfrA
分子名称: Bacterioferritin, PROTOPORPHYRIN IX CONTAINING FE
著者McMath, L.M, Goulding, C.W, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-16
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mycobacterium tuberculosis bacterioferritin, BfrA
To be Published
3UOF
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BU of 3uof by Molmil
Mycobacterium tuberculosis bacterioferritin, BfrA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterioferritin, FE (III) ION, ...
著者McMath, L.M, Goulding, C.W, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-16
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Mycobacterium tuberculosis bacterioferritin, BfrA
To be Published
4IVH
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BU of 4ivh by Molmil
Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template
分子名称: SODIUM ION, TERTIARY-BUTYL ALCOHOL, cyclo[Gln-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-(delta-linked-Orn)-Hao-Lys-Hao-(p-bromoPhe)-Thr-(delta-linked-Orn)]
著者Pham, J.D, Chim, N, Goulding, C.W, Nowick, J.S.
登録日2013-01-22
公開日2013-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structures of beta-Amyloid Peptide Oligomers
J.Am.Chem.Soc., 2013
4NTQ
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BU of 4ntq by Molmil
CdiA-CT/CdiI toxin and immunity complex from Enterobacter cloacae
分子名称: Contact-dependent inhibitor A, ECL CdiI
著者Morse, R.P, Goulding, C.W.
登録日2013-12-02
公開日2014-03-26
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CdiA from Enterobacter cloacae Delivers a Toxic Ribosomal RNase into Target Bacteria.
Structure, 22, 2014
4N8J
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BU of 4n8j by Molmil
F60M mutant, RipA structure
分子名称: ACETATE ION, COENZYME A, PHOSPHATE ION, ...
著者Torres, R, Goulding, C.W.
登録日2013-10-17
公開日2014-04-09
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
4NL5
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BU of 4nl5 by Molmil
Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide
分子名称: ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ...
著者Morse, R.P, Chao, A, Goulding, C.W.
登録日2013-11-13
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Inorg.Chem., 53, 2014
4Q7O
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BU of 4q7o by Molmil
The crystal structure of an immunity protein NMB0503 from Neisseria meningitidis MC58
分子名称: BROMIDE ION, FORMIC ACID, Immunity protein
著者Tan, K, Stols, L, Eschenfeldt, W, Babnigg, G, Low, D.A, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
登録日2014-04-25
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The structure of a contact-dependent growth-inhibition (CDI) immunity protein from Neisseria meningitidis MC58.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4N8I
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BU of 4n8i by Molmil
M31G mutant, RipA structure
分子名称: 4-hydroxybutyrate coenzyme A transferase, ACETATE ION, COENZYME A
著者Torres, R, Goulding, C.W.
登録日2013-10-17
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
4N8H
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BU of 4n8h by Molmil
E61V mutant, RipA structure
分子名称: 4-hydroxybutyrate coenzyme A transferase
著者Torres, R, Goulding, C.W.
登録日2013-10-17
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
2VIE
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BU of 2vie by Molmil
Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-11-30
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
3HX9
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BU of 3hx9 by Molmil
Structure of heme-degrader, MhuD (Rv3592), from Mycobacterium tuberculosis with two hemes bound in its active site
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Protein Rv3592
著者Chim, N, Nguyen, T.Q, Iniguez, A, Goulding, C.W.
登録日2009-06-19
公開日2009-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unusual Diheme Conformation of the Heme-Degrading Protein from Mycobacterium tuberculosis
J.Mol.Biol., 395, 2009
2VIZ
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BU of 2viz 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-(2-oxo- 1-pyrrolidinyl)-5-(propyloxy)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-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
2VJ9
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Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-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-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-07
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VIJ
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BU of 2vij by Molmil
Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
著者Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-04
公開日2008-01-29
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
2VJ6
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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, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
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 Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VJ7
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Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
4N8L
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E249D mutant, RipA structure
分子名称: Putative 4-hydroxybutyrate coenzyme A transferase
著者Torres, R, Goulding, C.W.
登録日2013-10-17
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.817 Å)
主引用文献Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
2VIY
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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-(pentylsulfonyl)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-(pentylsulfonyl)benzamide
著者Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
登録日2007-12-06
公開日2008-01-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
4N8K
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E249A mutant, RipA structure
分子名称: Putative 4-hydroxybutyrate coenzyme A transferase
著者Torres, R, Goulding, C.W.
登録日2013-10-17
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
2WEZ
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BU of 2wez by Molmil
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
2WF3
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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
2VNN
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Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)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-(trifluoromethyl)benzyl]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, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2008-02-05
公開日2008-05-20
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008

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