6DLC
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![BU of 6dlc by Molmil](/molmil-images/mine/6dlc) | |
9CKV
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![BU of 9ckv by Molmil](/molmil-images/mine/9ckv) | Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Werther, R, Nguyen, A, Estrada Alamo, K.A, Wang, X, Campbell, M.G. | Deposit date: | 2024-07-09 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | De Novo Design of Integrin alpha5beta1 Modulating Proteins for Regenerative Medicine To Be Published
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7VQW
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![BU of 7vqw by Molmil](/molmil-images/mine/7vqw) | de novo designed protein based on 1r26 | Descriptor: | de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-20 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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4UHU
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![BU of 4uhu by Molmil](/molmil-images/mine/4uhu) | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A | Descriptor: | ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-03-25 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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6L9X
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![BU of 6l9x by Molmil](/molmil-images/mine/6l9x) | Xenons in frog EPDR1 | Descriptor: | Ependymin-related 1, XENON | Authors: | Park, S. | Deposit date: | 2019-11-11 | Release date: | 2020-11-11 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | De novo Phasing Xenons Observed in the Frog Ependymin-Related Protein Crystals, 10, 2020
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7VU4
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![BU of 7vu4 by Molmil](/molmil-images/mine/7vu4) | de novo design based on 1r26 | Descriptor: | de novo design protein | Authors: | Zhang, L. | Deposit date: | 2021-11-01 | Release date: | 2022-06-08 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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7VTY
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![BU of 7vty by Molmil](/molmil-images/mine/7vty) | de novo designed protein | Descriptor: | de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-31 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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5I30
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![BU of 5i30 by Molmil](/molmil-images/mine/5i30) | |
8BFD
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![BU of 8bfd by Molmil](/molmil-images/mine/8bfd) | Racemic structure of PK-7 (310HD-U2U5) | Descriptor: | 310HD-U2U5, D-310HD-U2U5, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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8OYV
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![BU of 8oyv by Molmil](/molmil-images/mine/8oyv) | De novo designed Claudin fold CLF_4 | Descriptor: | De novo designed soluble Claudin | Authors: | Pacesa, M, Correia, B.E. | Deposit date: | 2023-05-05 | Release date: | 2023-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
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8OYX
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![BU of 8oyx by Molmil](/molmil-images/mine/8oyx) | De novo designed soluble GPCR-like fold GLF_18 | Descriptor: | De novo designed soluble GPCR-like protein, PHOSPHATE ION | Authors: | Pacesa, M, Correia, B.E. | Deposit date: | 2023-05-05 | Release date: | 2023-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
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8OYW
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![BU of 8oyw by Molmil](/molmil-images/mine/8oyw) | De novo designed rhomboid protease-like fold RPF_9 | Descriptor: | De novo designed soluble Rhomboid protease-like protein, SODIUM ION | Authors: | Pacesa, M, Correia, B.E. | Deposit date: | 2023-05-05 | Release date: | 2023-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
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4P6J
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4P6K
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![BU of 4p6k by Molmil](/molmil-images/mine/4p6k) | |
7RKC
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![BU of 7rkc by Molmil](/molmil-images/mine/7rkc) | Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633 | Descriptor: | ACETATE ION, D_3_633 | Authors: | Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K. | Deposit date: | 2021-07-22 | Release date: | 2022-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets. Proc.Natl.Acad.Sci.USA, 119, 2022
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7QDI
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![BU of 7qdi by Molmil](/molmil-images/mine/7qdi) | Structure of octameric left-handed 310-helix bundle: D-310HD | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2021-11-27 | Release date: | 2022-04-27 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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7QDJ
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![BU of 7qdj by Molmil](/molmil-images/mine/7qdj) | Racemic structure of PK-10 and PK-11 | Descriptor: | GLYCEROL, MALONATE ION, PK-10+PK-11, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2021-11-27 | Release date: | 2022-04-27 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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5FQK
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![BU of 5fqk by Molmil](/molmil-images/mine/5fqk) | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQM
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![BU of 5fqm by Molmil](/molmil-images/mine/5fqm) | Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase | Descriptor: | GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION | Authors: | Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M. | Deposit date: | 2015-12-12 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQI
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![BU of 5fqi by Molmil](/molmil-images/mine/5fqi) | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQJ
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![BU of 5fqj by Molmil](/molmil-images/mine/5fqj) | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQQ
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![BU of 5fqq by Molmil](/molmil-images/mine/5fqq) | Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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2MXG
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2MXH
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7RRO
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![BU of 7rro by Molmil](/molmil-images/mine/7rro) | Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia | Descriptor: | Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ... | Authors: | Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A. | Deposit date: | 2021-08-10 | Release date: | 2021-10-27 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | De novo identification of mammalian ciliary motility proteins using cryo-EM. Cell, 184, 2021
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