3NAN
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![BU of 3nan by Molmil](/molmil-images/mine/3nan) | SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2010-06-02 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
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6UFA
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![BU of 6ufa by Molmil](/molmil-images/mine/6ufa) | S4 symmetric peptide design number 1, Tim zinc-bound form | Descriptor: | S4-1, Tim, Zinc-bound form, ... | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-24 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.77 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UG2
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![BU of 6ug2 by Molmil](/molmil-images/mine/6ug2) | C2 symmetric peptide design number 1, Zappy, crystal form 2 | Descriptor: | C2-1, Zappy, crystal form 2, ... | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-25 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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5I11
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![BU of 5i11 by Molmil](/molmil-images/mine/5i11) | |
6UF4
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![BU of 6uf4 by Molmil](/molmil-images/mine/6uf4) | S2 symmetric peptide design number 4 crystal form 2, Pugsley | Descriptor: | S2-4, Pusgley crystal form 2 | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-23 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UF9
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![BU of 6uf9 by Molmil](/molmil-images/mine/6uf9) | S4 symmetric peptide design number 1, Tim apo form | Descriptor: | S4-1, Tim apo-form, SULFATE ION | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-24 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UG6
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![BU of 6ug6 by Molmil](/molmil-images/mine/6ug6) | C3 symmetric peptide design number 1, Sporty, crystal form 2 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, C3-1, ... | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-25 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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5IHK
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![BU of 5ihk by Molmil](/molmil-images/mine/5ihk) | |
6UDW
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![BU of 6udw by Molmil](/molmil-images/mine/6udw) | S2 symmetric peptide design number 3 crystal form 2, Lurch | Descriptor: | S2-3, Lurch crystal form 2 | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UGB
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![BU of 6ugb by Molmil](/molmil-images/mine/6ugb) | C3 symmetric peptide design number 2, Baby Basil | Descriptor: | C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ... | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UF7
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![BU of 6uf7 by Molmil](/molmil-images/mine/6uf7) | S2 symmetric peptide design number 5, Uncle Fester | Descriptor: | S2-5, Uncle Fester | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-23 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UF8
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![BU of 6uf8 by Molmil](/molmil-images/mine/6uf8) | S2 symmetric peptide design number 6, London Bridge | Descriptor: | S2-6, London Bridge | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-23 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UFU
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![BU of 6ufu by Molmil](/molmil-images/mine/6ufu) | C2 symmetric peptide design number 1, Zappy, crystal form 1 | Descriptor: | C2-1, Zappy, crystal form 1 | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-25 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UG3
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![BU of 6ug3 by Molmil](/molmil-images/mine/6ug3) | C3 symmetric peptide design number 1, Sporty, crystal form 1 | Descriptor: | C3-1, Sporty, crystal form 1, ... | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-25 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UGC
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![BU of 6ugc by Molmil](/molmil-images/mine/6ugc) | C3 symmetric peptide design number 3 | Descriptor: | C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UDR
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![BU of 6udr by Molmil](/molmil-images/mine/6udr) | S2 symmetric peptide design number 3 crystal form 1, Lurch | Descriptor: | S2-3, Lurch crystal form 1 | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UCX
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![BU of 6ucx by Molmil](/molmil-images/mine/6ucx) | S2 symmetric peptide design number 1, Wednesday | Descriptor: | S2-1, Wednesday, trifluoroacetic acid | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-18 | Release date: | 2020-09-23 | Last modified: | 2021-07-28 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UD9
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![BU of 6ud9 by Molmil](/molmil-images/mine/6ud9) | S2 symmetric peptide design number 2, Morticia | Descriptor: | S2-2, Morticia | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6UDZ
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![BU of 6udz by Molmil](/molmil-images/mine/6udz) | S2 symmetric peptide design number 4 crystal form 1, Pugsley | Descriptor: | S2-4, Pusgley crystal form 1, trifluoroacetic acid | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-20 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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6TW5
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![BU of 6tw5 by Molmil](/molmil-images/mine/6tw5) | Plasmodium vivax N-myristoyltransferase with bound indazole inhibitor IMP-917 | Descriptor: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Brannigan, J.A. | Deposit date: | 2020-01-12 | Release date: | 2021-07-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Plasmodium vivax N-myristoyltransferase with bound indazole inhibitor IMP-917 To Be Published
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6TW6
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![BU of 6tw6 by Molmil](/molmil-images/mine/6tw6) | |
6TW7
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![BU of 6tw7 by Molmil](/molmil-images/mine/6tw7) | |
6TW8
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![BU of 6tw8 by Molmil](/molmil-images/mine/6tw8) | Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917 | Descriptor: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | Authors: | Brannigan, J.A. | Deposit date: | 2020-01-12 | Release date: | 2021-07-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917 To Be Published
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5IHI
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![BU of 5ihi by Molmil](/molmil-images/mine/5ihi) | |
5IHN
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![BU of 5ihn by Molmil](/molmil-images/mine/5ihn) | |