5VTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vte by Molmil](/molmil-images/mine/5vte) | |
8OYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oys by Molmil](/molmil-images/mine/8oys) | De novo designed TIM barrel fold TBF_24 | Descriptor: | CHLORIDE ION, De novo designed TIM-barrel | 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 (1.34 Å) | Cite: | Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
|
|
8OYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oyy by Molmil](/molmil-images/mine/8oyy) | De novo designed soluble GPCR-like fold GLF_32 | Descriptor: | CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM 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 (1.85 Å) | Cite: | Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
|
|
1EC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ec5 by Molmil](/molmil-images/mine/1ec5) | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | Descriptor: | PROTEIN (FOUR-HELIX BUNDLE MODEL), ZINC ION | Authors: | Geremia, S. | Deposit date: | 2000-01-25 | Release date: | 2000-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inaugural article: retrostructural analysis of metalloproteins: application to the design of a minimal model for diiron proteins. Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
8W7D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w7d by Molmil](/molmil-images/mine/8w7d) | Crystal structure of EcPPAT-FR901483 complex | Descriptor: | Amidophosphoribosyltransferase, [(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate | Authors: | Hara, K, Hashimoto, H, Nakahara, M, Sato, M, Watanabe, K. | Deposit date: | 2023-08-30 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Uncommon Arrangement of Self-resistance Allows Biosynthesis of de novo Purine Biosynthesis Inhibitor that Acts as an Immunosuppressor. J.Am.Chem.Soc., 145, 2023
|
|
1D7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d7a by Molmil](/molmil-images/mine/1d7a) | CRYSTAL STRUCTURE OF E. COLI PURE-MONONUCLEOTIDE COMPLEX. | Descriptor: | 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE | Authors: | Mathews, I.I, Kappock, T.J, Stubbe, J, Ealick, S.E. | Deposit date: | 1999-10-16 | Release date: | 1999-12-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway. Structure Fold.Des., 7, 1999
|
|
8F6R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f6r by Molmil](/molmil-images/mine/8f6r) | CryoEM structure of designed modular protein oligomer C6-79 | Descriptor: | De novo designed oligomeric protein C6-79 | Authors: | Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G. | Deposit date: | 2022-11-17 | Release date: | 2023-11-29 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies. Cell, 187, 2024
|
|
7JG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jg3 by Molmil](/molmil-images/mine/7jg3) | Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid, SODIUM ION, ... | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2020-07-18 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors Bioorg.Med.Chem., 37, 2021
|
|
7JG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jg4 by Molmil](/molmil-images/mine/7jg4) | Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid, SODIUM ION, ... | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2020-07-18 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.455 Å) | Cite: | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors Bioorg.Med.Chem., 37, 2021
|
|
7JG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jg0 by Molmil](/molmil-images/mine/7jg0) | Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2020-07-18 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors Bioorg.Med.Chem., 37, 2021
|
|
1EP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ep3 by Molmil](/molmil-images/mine/1ep3) | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B. DATA COLLECTED UNDER CRYOGENIC CONDITIONS. | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | Deposit date: | 2000-03-27 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000
|
|
1EP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ep2 by Molmil](/molmil-images/mine/1ep2) | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B COMPLEXED WITH OROTATE | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | Deposit date: | 2000-03-27 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000
|
|
1EP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ep1 by Molmil](/molmil-images/mine/1ep1) | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | Deposit date: | 2000-03-27 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000
|
|
2MI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mi7 by Molmil](/molmil-images/mine/2mi7) | Solution NMR structure of alpha3Y | Descriptor: | de novo protein a3Y | Authors: | Glover, S.D, Jorge, C, Liang, L, Valentine, K.G, Hammarstrom, L, Tommos, C. | Deposit date: | 2013-12-10 | Release date: | 2014-08-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Photochemical tyrosine oxidation in the structurally well-defined alpha 3Y protein: proton-coupled electron transfer and a long-lived tyrosine radical. J.Am.Chem.Soc., 136, 2014
|
|
7VQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vql by Molmil](/molmil-images/mine/7vql) | de novo designed based on 1r26 | Descriptor: | AMMONIUM ION, GLYCEROL, 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 (1.75 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
|
|
3V86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v86 by Molmil](/molmil-images/mine/3v86) | |
8D9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d9o by Molmil](/molmil-images/mine/8d9o) | De Novo Photosynthetic Reaction Center Protein in Apo-State | Descriptor: | CADMIUM ION, Reaction Center Maquette | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2022-06-10 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
|
|
8D9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d9p by Molmil](/molmil-images/mine/8d9p) | De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) cations | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2022-06-10 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
|
|
6U1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u1s by Molmil](/molmil-images/mine/6u1s) | Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R. | Descriptor: | de novo designed 16-helix transmembrane nanopore, TMHC8_R | Authors: | Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J. | Deposit date: | 2019-08-16 | Release date: | 2020-08-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Computational Design of Transmembrane Channels To Be Published
|
|
3Q7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q7y by Molmil](/molmil-images/mine/3q7y) | |
2LND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lnd by Molmil](/molmil-images/mine/2lnd) | Solution NMR Structure of DE NOVO DESIGNED PROTEIN, PFK fold, Northeast Structural Genomics Consortium Target OR134 | Descriptor: | DE NOVO DESIGNED PROTEIN, PFK fold | Authors: | Liu, G, Koga, N, Koga, R, Xiao, R, Lee, H, Janjua, H, Kohan, E, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-23 | Release date: | 2012-01-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target OR134 To be Published
|
|
2LVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lvb by Molmil](/molmil-images/mine/2lvb) | Solution NMR Structure DE NOVO DESIGNED PFK fold PROTEIN, Northeast Structural Genomics Consortium (NESG) Target OR250 | Descriptor: | DE NOVO DESIGNED PFK fold PROTEIN | Authors: | Liu, G, Koga, N, Koga, R, Xiao, R, Hamilton, K, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-30 | Release date: | 2012-08-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Principles for designing ideal protein structures. Nature, 491, 2012
|
|
2LV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lv8 by Molmil](/molmil-images/mine/2lv8) | Solution NMR Structure de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium (NESG) Target OR16 | Descriptor: | De novo designed rossmann 2x2 fold protein | Authors: | Liu, G, Koga, R, Koga, N, Xiao, R, Pederson, K, Hamilton, K, Ciccosanti, C, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-29 | Release date: | 2012-08-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Principles for designing ideal protein structures. Nature, 491, 2012
|
|
2LN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ln3 by Molmil](/molmil-images/mine/2ln3) | Solution NMR Structure of DE NOVO DESIGNED PROTEIN, IF3-like fold, Northeast Structural Genomics Consortium Target OR135 (CASD target) | Descriptor: | DE NOVO DESIGNED PROTEIN OR135 | Authors: | Liu, G, Koga, R, Koga, N, Xiao, R, Lee, H, Janjua, H, Kohan, E, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-15 | Release date: | 2012-02-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Principles for designing ideal protein structures. Nature, 491, 2012
|
|
2LTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lta by Molmil](/molmil-images/mine/2lta) | Solution NMR structure of De novo designed protein, rossmann 3x1 fold, Northeast Structural Genomics Consortium target OR157 | Descriptor: | De novo designed protein | Authors: | Liu, G, Koga, R, Koga, N, Xiao, R, Pederson, K, Hamilton, K, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-05-15 | Release date: | 2012-06-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Principles for designing ideal protein structures. Nature, 491, 2012
|
|