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2N92
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BU of 2n92 by Molmil
Solution structure of cecropin P1 with LPS
分子名称: Cecropin-P1
著者Baek, M, Kamiya, M, Kushibiki, T, Nakazumi, T, Tomisawa, S, Abe, C, Kumaki, Y, Kikukawa, T, Demura, M, Kawano, K, Aizawa, T.
登録日2015-11-04
公開日2016-11-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Lipopolysaccharide bound structure of antimicrobial peptide cecropin P1 by NMR spectroscopy
To be Published
8FNE
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BU of 8fne by Molmil
phiPA3 PhuN Tetramer, p2
分子名称: Maltose/maltodextrin-binding periplasmic protein, PhuN
著者Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A.
登録日2022-12-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice.
Nat Commun, 14, 2023
8FV5
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BU of 8fv5 by Molmil
Representation of 16-mer phiPA3 PhuN Lattice, p2
分子名称: Maltose/maltodextrin-binding periplasmic protein, phiPA3 PhuN
著者Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A.
登録日2023-01-18
公開日2023-03-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.21 Å)
主引用文献The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice.
Nat Commun, 14, 2023
7QFJ
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BU of 7qfj by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II (aa 194-362)
分子名称: SlpX
著者Sagmeister, T, Pavkov-Keller, T, Buhlheller, C, Baek, M, Read, R, Baker, D.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The self-assembly of the S-layer protein from Lactobacilli acidophilus
To be published
8VC8
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BU of 8vc8 by Molmil
Crystal structure of heme-loaded design: HEM_3.C9
分子名称: HEM_3.C9, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Kalvet, I, Bera, A.K, Baker, D.
登録日2023-12-13
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Generalized biomolecular modeling and design with RoseTTAFold All-Atom.
Science, 384, 2024
8SK7
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BU of 8sk7 by Molmil
Cryo-EM structure of designed Influenza HA binder, HA_20, bound to Influenza HA (Strain: Iowa43)
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, HA_20 minibinder (RFdiffusion-designed), ...
著者Borst, A.J, Bennett, N.R.
登録日2023-04-18
公開日2023-06-14
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献De novo design of protein structure and function with RFdiffusion.
Nature, 620, 2023
7BOT
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BU of 7bot by Molmil
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23
分子名称: N-dodecylmethanethioamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
著者Kudo, N, Olsen, C.A, Minoru, Y.
登録日2020-03-19
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
7BOS
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BU of 7bos by Molmil
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13
分子名称: Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ...
著者Kudo, N, Olsen, C.A, Minoru, Y.
登録日2020-03-19
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
7MEZ
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BU of 7mez by Molmil
Structure of the phosphoinositide 3-kinase p110 gamma (PIK3CG) p101 (PIK3R5) complex
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 5
著者Burke, J.E, Dalwadi, U, Rathinaswamy, M.K, Yip, C.K.
登録日2021-04-08
公開日2021-07-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure of the phosphoinositide 3-kinase (PI3K) p110 gamma-p101 complex reveals molecular mechanism of GPCR activation.
Sci Adv, 7, 2021
7QFI
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BU of 7qfi by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain I (aa 31-182)
分子名称: CALCIUM ION, SlpX
著者Sagmeister, T, Damisch, E, Millan, C, Uson, I, Eder, M, Pavkov-Keller, T.
登録日2021-12-06
公開日2022-12-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The self-assembly of the S-layer protein from Lactobacilli acidophilus
To be published
7QEC
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BU of 7qec by Molmil
Crystal structure of SlpA - domain II, domain that is involved in the self-assembly of the S-layer from Lactobacillus amylovorus
分子名称: S-layer
著者Eder, M, Dordic, A, Millan, C, Sagmeister, T, Uson, I, Pavkov-Keller, T.
登録日2021-12-02
公開日2022-12-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The self-assembly of the S-layer protein from lactobacilli
to be published
7QLE
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BU of 7qle by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I (aa 32-198)
分子名称: S-layer protein
著者Sagmeister, T, Eder, M, Vejzovic, D, Dordic, A, Pavkov-Keller, T.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The self-assembly of the S-layer protein from Lactobacilli acidophilus
To Be Published
7QLD
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BU of 7qld by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I, Co-crystallization with HgCl2, Mutation Ser146Cys, (aa 32-198)
分子名称: CHLORIDE ION, MERCURY (II) ION, S-layer protein
著者Sagmeister, T, Vejzovic, D, Eder, M, Dordic, A, Pavkov-Keller, T.
登録日2021-12-20
公開日2022-12-28
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献The self-assembly of the S-layer protein from Lactobacilli acidophilus
To Be Published
5ZWV
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BU of 5zwv by Molmil
Structural Basis for the Enantioselectivity of Est-Y29 toward (S)-ketoprofen
分子名称: Est-Y29
著者Ngo, D.T, Oh, C, Park, K, Nguyen, L, Byun, H.M, Kim, S, Yoon, S, Ryu, Y, Ryu, B.H, Kim, T.D, Yang, J.W.
登録日2018-05-17
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural Basis for the Enantioselectivity of Esterase Est-Y29 toward (S)-Ketoprofen
Acs Catalysis, 9, 2019
5ZWR
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BU of 5zwr by Molmil
Structural Basis for the Enantioselectivity of Est-Y29 toward (S)-ketoprofen
分子名称: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, Est-Y29, GLYCEROL
著者Ngo, D.T, Oh, C, Park, K, Nguyen, L, Byun, H.M, Kim, S, Yoon, S, Ryu, Y, Ryu, B.H, Kim, T.D, Kim, K.K.
登録日2018-05-16
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural Basis for the Enantioselectivity of Esterase Est-Y29 toward (S)-Ketoprofen
Acs Catalysis, 9, 2019
5ZWQ
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BU of 5zwq by Molmil
Structural Basis for the Enantioselectivity of Est-Y29 toward (S)-ketoprofen
分子名称: Est-Y29, GLYCEROL, ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate
著者Ngo, D.T, Oh, C, Park, K, Nguyen, L, Byun, H.M, Kim, S, Yoon, S, Ryu, Y, Ryu, B.H, Kim, T.D, Yang, J.W, Kim, K.K.
登録日2018-05-16
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Structural Basis for the Enantioselectivity of Esterase Est-Y29 toward (S)-Ketoprofen
Acs Catalysis, 9, 2019
7QFL
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BU of 7qfl by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain II (aa 199-308)
分子名称: ACETATE ION, PHOSPHATE ION, S-layer protein
著者Sagmeister, T, Dordic, A, Eder, E, Pavkov-Keller, T.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The self-assembly of the S-layer protein from Lactobacilli acidophilus
To be published
7QFK
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BU of 7qfk by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II, Co-Crystallization with HgCl2, Mutation Ser316Cys (aa 194-362)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
著者Sagmeister, T, Pavkov-Keller, T, Buhlheller, C.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The self-assembly of the S-layer protein from Lactobacilli acidophilus
To be published
7QLH
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BU of 7qlh by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 48-213)
分子名称: PHOSPHATE ION, S-layer, SODIUM ION
著者Grininger, C, Sagmeister, T, Eder, E, Vejzovic, D, Pavkov-Keller, T.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The self-assembly of the S-layer protein from Lactobacilli acidophilus
to be published
8DT0
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BU of 8dt0 by Molmil
Scaffolding protein functional sites using deep learning
分子名称: Scaffolding protein functional sites
著者Bera, A.K, Watson, J, Baker, D.
登録日2022-07-24
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffolding protein functional sites using deep learning.
Science, 377, 2022
6JKG
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BU of 6jkg by Molmil
The NAD+-free form of human NSDHL
分子名称: Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
著者Kim, D, Lee, S.J, Lee, B.
登録日2019-02-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity.
Cell.Mol.Life Sci., 78, 2021
6JKH
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BU of 6jkh by Molmil
The NAD+-bound form of human NSDHL
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
著者Kim, D, Lee, S.J, Lee, B.
登録日2019-02-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity.
Cell.Mol.Life Sci., 78, 2021
8D04
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BU of 8d04 by Molmil
Hallucinated C2 protein assembly HALC2_062
分子名称: HALC2_062
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D09
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BU of 8d09 by Molmil
Hallucinated C4 protein assembly HALC4_136
分子名称: HALC4_136
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D06
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BU of 8d06 by Molmil
Hallucinated C3 protein assembly HALC3_104
分子名称: HALC3_104
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022

 

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