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3EM4
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BU of 3em4 by Molmil
Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
著者Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
登録日2008-09-23
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic and Structural studies on atazanavir-specific I50L drug-resistant HIV-1 protease mutant
To be Published
3EM3
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BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
分子名称: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
登録日2008-09-23
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
2J4I
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BU of 2j4i by Molmil
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
3EL5
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BU of 3el5 by Molmil
Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
著者King, N, Prabu-Jeyabalan, M, Schiffer, C.
登録日2008-09-20
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
2VH6
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BU of 2vh6 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs
分子名称: 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-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, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E.
登録日2007-11-19
公開日2008-12-16
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs.
Bioorg.Med.Chem.Lett., 18, 2008
5CY5
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BU of 5cy5 by Molmil
Crystal structure of the T33-51H designed self-assembling protein tetrahedron
分子名称: T33-51H-A, T33-51H-B
著者Cannon, K.A, Cascio, D, Park, R, Boyken, S, King, N, Yeates, T.O.
登録日2015-07-30
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
5VL4
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BU of 5vl4 by Molmil
Accidental minimum contact crystal lattice formed by a redesigned protein oligomer
分子名称: T33-53H-B
著者Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T.
登録日2017-04-24
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
4ZK7
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BU of 4zk7 by Molmil
Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31
分子名称: Chorismate mutase, Divalent-cation tolerance protein CutA
著者Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T.
登録日2015-04-30
公開日2015-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression.
Protein Sci., 24, 2015
7AEK
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BU of 7aek by Molmil
Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the contracted sheath shell.
分子名称: Putative phage tail sheath protein FI
著者Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M.
登録日2020-09-17
公開日2022-02-16
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
7AEF
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BU of 7aef by Molmil
Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the baseplate complex in extended state applied 3-fold symmetry.
分子名称: Baseplate_J domain-containing protein, LysM domain-containing protein, Phage tail protein, ...
著者Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M.
登録日2020-09-17
公開日2022-02-23
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
3EL9
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BU of 3el9 by Molmil
Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V)
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
著者Prabu-Jeyabalan, M, King, N, Schiffer, C.
登録日2008-09-21
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
7ADZ
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BU of 7adz by Molmil
Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the cap portion in extended state.
分子名称: Phage tail protein, Putative phage tail sheath protein FI, cap adaptor protein (Algo2), ...
著者Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M.
登録日2020-09-17
公開日2022-02-16
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
7AEB
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BU of 7aeb by Molmil
Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the baseplate complex in extended state applied 6-fold symmetry.
分子名称: Baseplate_J domain-containing protein, LysM domain-containing protein, Phage tail protein, ...
著者Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M.
登録日2020-09-17
公開日2022-02-16
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
7AE0
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BU of 7ae0 by Molmil
Cryo-EM structure of an extracellular contractile injection system in marine bacterium Algoriphagus machipongonensis, the sheath-tube module in extended state.
分子名称: Phage tail protein, Putative phage tail sheath protein FI
著者Xu, J, Ericson, C, Feldmueller, M, Lien, Y.W, Pilhofer, M.
登録日2020-09-17
公開日2022-02-16
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Identification and structure of an extracellular contractile injection system from the marine bacterium Algoriphagus machipongonensis.
Nat Microbiol, 7, 2022
3EL4
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BU of 3el4 by Molmil
Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease
著者Prabu-Jeyabalan, M, King, N, Schiffer, C.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012

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