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1TD0
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BU of 1td0 by Molmil
Viral capsid protein SHP at pH 5.5
分子名称: Head decoration protein
著者Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A.
登録日2004-05-21
公開日2004-11-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP
J.Mol.Biol., 344, 2004
1TD3
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BU of 1td3 by Molmil
Crystal structure of VSHP_BPP21 in space group C2
分子名称: Head decoration protein
著者Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A.
登録日2004-05-21
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP.
J.Mol.Biol., 344, 2004
5SUJ
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BU of 5suj by Molmil
Crystal structure of uncharacterized protein LPG2148 from Legionella pneumophila
分子名称: Uncharacterized protein
著者Chang, C, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2016-08-03
公開日2016-08-17
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.356 Å)
主引用文献Discovery of Ubiquitin Deamidases in the Pathogenic Arsenal of Legionella pneumophila.
Cell Rep, 23, 2018
4OVM
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BU of 4ovm by Molmil
Crystal structure of SgcJ protein from Streptomyces carzinostaticus
分子名称: uncharacterized protein SgcJ
著者Chang, C, Bigelow, L, Clancy, S, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2013-11-20
公開日2013-12-25
最終更新日2023-03-22
実験手法X-RAY DIFFRACTION (2.719 Å)
主引用文献Crystal structure of SgcJ, an NTF2-like superfamily protein involved in biosynthesis of the nine-membered enediyne antitumor antibiotic C-1027.
J.Antibiot., 2016
4Y7B
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BU of 4y7b by Molmil
Factor Xa complex with GTC000441
分子名称: 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Factor Xa complex with GTC000441
to be published
4Y7A
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Factor Xa complex with GTC000422
分子名称: CALCIUM ION, Coagulation factor X, MAGNESIUM ION, ...
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Factor Xa complex with GTC000422
to be published
6NZ6
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BU of 6nz6 by Molmil
YcjX-GDP (type II)
分子名称: GUANOSINE-5'-DIPHOSPHATE, YcjX Stress Protein
著者Tsai, J, Sung, N, Lee, J, Chang, C, Lee, S, Tsai, F.T.
登録日2019-02-12
公開日2019-09-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the YcjX Stress Protein Reveals a Ras-Like GTP-Binding Protein.
J.Mol.Biol., 431, 2019
6NZ5
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YcjX-GDPCP
分子名称: GUANOSINE-5'-DIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, YcjX Stress Protein
著者Lee, S, Tsai, J, Tsai, F.T, Sung, N, Lee, J, Chang, C.
登録日2019-02-12
公開日2019-09-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献Crystal Structure of the YcjX Stress Protein Reveals a Ras-Like GTP-Binding Protein.
J.Mol.Biol., 431, 2019
5M9N
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BU of 5m9n by Molmil
Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
分子名称: 1,2-ETHANEDIOL, E2F peptide, N3, ...
著者Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-11-01
公開日2016-11-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
To Be Published
5M9O
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BU of 5m9o by Molmil
Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
分子名称: E2F peptide, Staphylococcal nuclease domain-containing protein 1
著者Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Siejka, P, Sorrell, F.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-11-01
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
To Be Published
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
著者Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
登録日2012-08-30
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
2CJI
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Crystal structure of a Human Factor Xa inhibitor complex
分子名称: 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Watson, N.S, Campbell, M, Chan, C, Convery, M.A, Hamblin, J.N, Kelly, H.A, King, N.P, Mason, A.M, Mitchell, C, Patel, V.K, Senger, S, Shah, G.P, Weston, H.E, Whitworth, C, Young, R.J.
登録日2006-04-03
公開日2006-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
3VCX
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BU of 3vcx by Molmil
Crystal structure of a putative glyoxalase/bleomycin resistance protein from Rhodopseudomonas palustris CGA009
分子名称: Glyoxalase/Bleomycin resistance protein/dioxygenase domain, TETRAETHYLENE GLYCOL
著者Stogios, P.J, Chang, C, Evdokimova, E, Egorova, O, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-01-04
公開日2012-01-18
最終更新日2012-01-25
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal structure of a putative glyoxalase/bleomycin resistance protein from Rhodopseudomonas palustris CGA009
To be Published
2J34
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BU of 2j34 by Molmil
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
分子名称: 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Senger, S, Convery, M.A, Chan, C, Watson, N.S.
登録日2006-08-18
公開日2006-09-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2J38
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
分子名称: 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Senger, S, Convery, M.A, Chan, C, Watson, N.S.
登録日2006-08-18
公開日2006-09-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2Y7X
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The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs
分子名称: 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J.
登録日2011-02-02
公開日2011-03-16
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y81
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y80
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y7Z
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y82
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2J4I
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
分子名称: 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ...
著者Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P.
登録日2006-08-31
公開日2006-09-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs.
Bioorg.Med.Chem.Lett., 16, 2006
2J2U
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
分子名称: 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE, COAGULATION FACTOR X HEAVY CHAIN, COAGULATION FACTOR X LIGHT CHAIN
著者Senger, S, Convery, M.A, Chan, C, Watson, N.S.
登録日2006-08-17
公開日2006-09-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2JH6
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Human Thrombin Hirugen Inhibitor complex
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-20
公開日2007-05-08
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2JH5
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Human Thrombin Hirugen Inhibitor complex
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-20
公開日2007-05-08
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2JH0
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Human Thrombin Hirugen Inhibitor complex
分子名称: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-19
公開日2007-05-08
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007

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