4NWO
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![BU of 4nwo by Molmil](/molmil-images/mine/4nwo) | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15 | 分子名称: | CALCIUM ION, Chorismate mutase AroH, Molybdenum cofactor biosynthesis protein MogA | 著者 | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | 登録日 | 2013-12-06 | 公開日 | 2014-05-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Accurate design of co-assembling multi-component protein nanomaterials. Nature, 510, 2014
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2F3K
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![BU of 2f3k by Molmil](/molmil-images/mine/2f3k) | Substrate envelope and drug resistance: crystal structure of r01 in complex with wild-type hiv-1 protease | 分子名称: | (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE, PHOSPHATE ION, Protease | 著者 | Prabu-Jeyabalan, M, King, N.M, Nalivaika, E.A, Heilek-Snyder, G, Cammack, N, Schiffer, C.A. | 登録日 | 2005-11-21 | 公開日 | 2006-11-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease. Antimicrob.Agents Chemother., 50, 2006
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2RIF
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![BU of 2rif by Molmil](/molmil-images/mine/2rif) | CBS domain protein PAE2072 from Pyrobaculum aerophilum complexed with AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, CESIUM ION, Conserved protein with 2 CBS domains | 著者 | Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O. | 登録日 | 2007-10-10 | 公開日 | 2008-06-17 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon. J.Mol.Biol., 380, 2008
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2VH0
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![BU of 2vh0 by Molmil](/molmil-images/mine/2vh0) | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | 分子名称: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-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, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | 登録日 | 2007-11-16 | 公開日 | 2008-11-25 | 最終更新日 | 2019-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett., 18, 2008
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2RIH
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![BU of 2rih by Molmil](/molmil-images/mine/2rih) | CBS domain protein PAE2072 from Pyrobaculum aerophilum | 分子名称: | ACETIC ACID, Conserved protein with 2 CBS domains, SULFATE ION | 著者 | Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O. | 登録日 | 2007-10-10 | 公開日 | 2008-06-17 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon J.Mol.Biol., 380, 2008
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4EGG
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![BU of 4egg by Molmil](/molmil-images/mine/4egg) | Computationally Designed Self-assembling tetrahedron protein, T310 | 分子名称: | GLYCEROL, Putative acetyltransferase SACOL2570 | 著者 | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | 登録日 | 2012-03-30 | 公開日 | 2012-05-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
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4DCL
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![BU of 4dcl by Molmil](/molmil-images/mine/4dcl) | Computationally Designed Self-assembling tetrahedron protein, T308, Crystallized in space group F23 | 分子名称: | Putative acetyltransferase SACOL2570 | 著者 | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | 登録日 | 2012-01-17 | 公開日 | 2012-06-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
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7KXS
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![BU of 7kxs by Molmil](/molmil-images/mine/7kxs) | Computational design of constitutively active cGAS | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION | 著者 | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | 登録日 | 2020-12-04 | 公開日 | 2021-12-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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7LZ3
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![BU of 7lz3 by Molmil](/molmil-images/mine/7lz3) | Computational design of constitutively active cGAS | 分子名称: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | 著者 | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | 登録日 | 2021-03-08 | 公開日 | 2022-03-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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2J4I
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![BU of 2j4i by Molmil](/molmil-images/mine/2j4i) | 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
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