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5J1A
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Antigen presenting molecule
分子名称: 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
著者Yongqing, T, Rossjohn, J, Le Nours, J, Marquez, E, Winau, F.
登録日2016-03-29
公開日2016-08-03
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献CD1a on Langerhans cells controls inflammatory skin disease.
Nat. Immunol., 17, 2016
6B8O
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BU of 6b8o by Molmil
WT Ig-like V Domain with Phosphatidylserine
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sudom, A, Wang, Z.
登録日2017-10-09
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
5IBK
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BU of 5ibk by Molmil
Skp1-F-box in complex with a ubiquitin variant
分子名称: F-box/WD repeat-containing protein 7, Polyubiquitin-B, S-phase kinase-associated protein 1,S-phase kinase-associated protein 1
著者Orlicky, S, Sicheri, F.
登録日2016-02-22
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Inhibition of SCF ubiquitin ligases by engineered ubiquitin variants that target the Cul1 binding site on the Skp1-F-box interface.
Proc.Natl.Acad.Sci.USA, 113, 2016
7SKM
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Complex between S. aureus aureolysin and wt IMPI.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
7SKL
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Complex between S. aureus aureolysin and IMPI mutant I57I
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, IMPI alpha, ...
著者Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
1CHK
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STREPTOMYCES N174 CHITOSANASE PH5.5 298K
分子名称: CHITOSANASE
著者Marcotte, E.M, Robertus, J.D.
登録日1995-06-12
公開日1996-07-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray structure of an anti-fungal chitosanase from streptomyces N174.
Nat.Struct.Biol., 3, 1996
6DG6
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BU of 6dg6 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic
分子名称: Neoleukin-2/15
著者Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
登録日2018-05-16
公開日2019-01-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
6F78
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Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid
分子名称: 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ...
著者Goyal, P, Wahlgren, W.Y, Friemann, R.
登録日2017-12-07
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
6F2U
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Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid
分子名称: 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Goyal, P, Wahlgren, W.Y, Friemann, R.
登録日2017-11-27
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
8AN1
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BU of 8an1 by Molmil
Structure of a first level Sierpinski triangle formed by a citrate synthase
分子名称: Citrate synthase
著者Lo, Y.K, Bohn, S, Sendker, F.L, Schuller, J.M, Hochberg, G.
登録日2022-08-04
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Evolution of a protein Sierpinski fractal
To Be Published
6DG5
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Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic complex with IL-2Rb and IL-2Rg
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
著者Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
登録日2018-05-16
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.516 Å)
主引用文献De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
8AH9
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BU of 8ah9 by Molmil
De novo retro-aldolase RAbetaB-16.1
分子名称: BENZOIC ACID, RAbetaB-16.1
著者Mittl, P, Oualb Chaib, A, Hilvert, D.
登録日2022-07-21
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Design and optimization of enzymatic activity in a de novo beta-barrel scaffold.
Protein Sci., 31, 2022
6GGM
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HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe.
分子名称: Beta-2-microglobulin, MHC class I antigen, Mtb44*P2-Phe peptide variant (ARG-PHE-PRO-ALA-LYS-ALA-PRO-LEU-LEU), ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-03
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
6GH4
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BU of 6gh4 by Molmil
HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Gln.
分子名称: ARG-GLN-PRO-ALA-LYS-ALA-PRO-LEU-LEU, Beta-2-microglobulin, MHC class I antigen, ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
5Z5S
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BU of 5z5s by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 13ab
分子名称: 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
著者Matsui, Y, Hanzawa, H.
登録日2018-01-19
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
6GH1
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HLA-E*01:03 in complex with Mtb44
分子名称: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], MHC class I antigen, ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
6GHN
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BU of 6ghn by Molmil
HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P9-Phe.
分子名称: ARG-LEU-PRO-ALA-LYS-ALA-PRO-LEU-PHE, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
登録日2018-05-08
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.542 Å)
主引用文献Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
5Z6S
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Crystal structure of the PPARgamma-LBD complexed with compound DS-6930
分子名称: 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
著者Matsui, Y, Hanzawa, H.
登録日2018-01-25
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
7TBM
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BU of 7tbm by Molmil
Composite structure of the dilated human nuclear pore complex (NPC) generated with a 37A in situ cryo-ET map of CD4+ T cell NPC
分子名称: DDX19, NUP107 CTD, NUP107 NTD, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-12-22
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (37 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7TBK
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Composite structure of the dilated human nuclear pore complex (NPC) symmetric core generated with a 37A in situ cryo-ET map of CD4+ T cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (37 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
7TBJ
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BU of 7tbj by Molmil
Composite structure of the human nuclear pore complex (NPC) symmetric core generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
7TBL
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BU of 7tbl by Molmil
Composite structure of the human nuclear pore complex (NPC) cytoplasmic face generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: DDX19, ELYS, GLE1, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
6AZX
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BU of 6azx by Molmil
Crystal structure of the neutralizing anti-circumsporozoite protein 663 antibody
分子名称: 663 antibody, heavy chain, light chain
著者Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P.
登録日2017-09-13
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies.
Immunity, 47, 2017
6AZM
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BU of 6azm by Molmil
Crystal structure of the 580 germline antibody bound to circumsporozoite protein NANP 5-mer
分子名称: 580 germline antibody, heavy chain, light chain, ...
著者Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P.
登録日2017-09-11
公開日2017-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies.
Immunity, 47, 2017
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
分子名称: b11L5F_LGL
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018

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