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2N92
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BU of 2n92 by Molmil
Solution structure of cecropin P1 with LPS
Descriptor: Cecropin-P1
Authors:Baek, M, Kamiya, M, Kushibiki, T, Nakazumi, T, Tomisawa, S, Abe, C, Kumaki, Y, Kikukawa, T, Demura, M, Kawano, K, Aizawa, T.
Deposit date:2015-11-04
Release date:2016-11-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Maltose/maltodextrin-binding periplasmic protein, PhuN
Authors: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.
Deposit date:2022-12-27
Release date:2023-03-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: Maltose/maltodextrin-binding periplasmic protein, phiPA3 PhuN
Authors: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.
Deposit date:2023-01-18
Release date:2023-03-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.21 Å)
Cite:The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice.
Nat Commun, 14, 2023
8VC8
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BU of 8vc8 by Molmil
Crystal structure of heme-loaded design: HEM_3.C9
Descriptor: HEM_3.C9, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Kalvet, I, Bera, A.K, Baker, D.
Deposit date:2023-12-13
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: 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), ...
Authors:Borst, A.J, Bennett, N.R.
Deposit date:2023-04-18
Release date:2023-06-14
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:De novo design of protein structure and function with RFdiffusion.
Nature, 620, 2023
7MEZ
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BU of 7mez by Molmil
Structure of the phosphoinositide 3-kinase p110 gamma (PIK3CG) p101 (PIK3R5) complex
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 5
Authors:Burke, J.E, Dalwadi, U, Rathinaswamy, M.K, Yip, C.K.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure of the phosphoinositide 3-kinase (PI3K) p110 gamma-p101 complex reveals molecular mechanism of GPCR activation.
Sci Adv, 7, 2021
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)
Descriptor: SlpX
Authors:Sagmeister, T, Pavkov-Keller, T, Buhlheller, C, Baek, M, Read, R, Baker, D.
Deposit date:2021-12-06
Release date:2022-12-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
5ZWV
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BU of 5zwv by Molmil
Structural Basis for the Enantioselectivity of Est-Y29 toward (S)-ketoprofen
Descriptor: Est-Y29
Authors: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.
Deposit date:2018-05-17
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.099 Å)
Cite: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
Descriptor: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, Est-Y29, GLYCEROL
Authors: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.
Deposit date:2018-05-16
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
Descriptor: Est-Y29, GLYCEROL, ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate
Authors: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.
Deposit date:2018-05-16
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Structural Basis for the Enantioselectivity of Esterase Est-Y29 toward (S)-Ketoprofen
Acs Catalysis, 9, 2019
6JKG
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BU of 6jkg by Molmil
The NAD+-free form of human NSDHL
Descriptor: Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
Authors:Kim, D, Lee, S.J, Lee, B.
Deposit date:2019-02-28
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
Authors:Kim, D, Lee, S.J, Lee, B.
Deposit date:2019-02-28
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity.
Cell.Mol.Life Sci., 78, 2021
7BOT
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BU of 7bot by Molmil
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23
Descriptor: N-dodecylmethanethioamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
Authors:Kudo, N, Olsen, C.A, Minoru, Y.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ...
Authors:Kudo, N, Olsen, C.A, Minoru, Y.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
8DT0
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BU of 8dt0 by Molmil
Scaffolding protein functional sites using deep learning
Descriptor: Scaffolding protein functional sites
Authors:Bera, A.K, Watson, J, Baker, D.
Deposit date:2022-07-24
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Scaffolding protein functional sites using deep learning.
Science, 377, 2022
8F54
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BU of 8f54 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F4X
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BU of 8f4x by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_1-H11
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F53
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BU of 8f53 by Molmil
Top-down design of protein architectures with reinforcement learning
Descriptor: RC_I_2
Authors:Borst, A.J, Baker, D.
Deposit date:2022-11-11
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8D04
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BU of 8d04 by Molmil
Hallucinated C2 protein assembly HALC2_062
Descriptor: HALC2_062
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D07
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BU of 8d07 by Molmil
Hallucinated C3 protein assembly HALC3_109
Descriptor: HALC3_109
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D05
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BU of 8d05 by Molmil
Hallucinated C2 protein assembly HALC2_065
Descriptor: HALC2_065
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D08
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BU of 8d08 by Molmil
Hallucinated C4 protein assembly HALC4_135
Descriptor: HALC4_135
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D03
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BU of 8d03 by Molmil
Hallucinated C2 protein assembly HALC2_068
Descriptor: HALC2_068
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D09
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BU of 8d09 by Molmil
Hallucinated C4 protein assembly HALC4_136
Descriptor: HALC4_136
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D06
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BU of 8d06 by Molmil
Hallucinated C3 protein assembly HALC3_104
Descriptor: HALC3_104
Authors:Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
Deposit date:2022-05-25
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Hallucinating symmetric protein assemblies.
Science, 378, 2022

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