4GXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gxz by Molmil](/molmil-images/mine/4gxz) | Crystal structure of a periplasmic thioredoxin-like protein from Salmonella enterica serovar Typhimurium | Descriptor: | Suppression of copper sensitivity protein | Authors: | Shepherd, M, Heras, B, King, G.J, Argente, M.P, Achard, M.E.S, King, N.P, McEwan, A.G, Schembri, M.A. | Deposit date: | 2012-09-04 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and functional characterization of ScsC, a periplasmic thioredoxin-like protein from Salmonella enterica serovar Typhimurium Antioxid Redox Signal, 19, 2013
|
|
2VH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vh0 by Molmil](/molmil-images/mine/2vh0) | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2007-11-16 | Release date: | 2008-11-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett., 18, 2008
|
|
7KXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kxs by Molmil](/molmil-images/mine/7kxs) | Computational design of constitutively active cGAS | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | Deposit date: | 2020-12-04 | Release date: | 2021-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
|
|
7LZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lz3 by Molmil](/molmil-images/mine/7lz3) | Computational design of constitutively active cGAS | Descriptor: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | Deposit date: | 2021-03-08 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
|
|
2CJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2cji by Molmil](/molmil-images/mine/2cji) | Crystal structure of a Human Factor Xa inhibitor complex | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Campbell, M, Chan, C, Convery, M.A, Hamblin, J.N, Kelly, H.A, King, N.P, Mason, A.M, Mitchell, C, Patel, V.K, Senger, S, Shah, G.P, Weston, H.E, Whitworth, C, Young, R.J. | Deposit date: | 2006-04-03 | Release date: | 2006-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors Bioorg.Med.Chem.Lett., 16, 2006
|
|
5CY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cy5 by Molmil](/molmil-images/mine/5cy5) | Crystal structure of the T33-51H designed self-assembling protein tetrahedron | Descriptor: | T33-51H-A, T33-51H-B | Authors: | Cannon, K.A, Cascio, D, Park, R, Boyken, S, King, N, Yeates, T.O. | Deposit date: | 2015-07-30 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering. Protein Sci., 29, 2020
|
|
4ZK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zk7 by Molmil](/molmil-images/mine/4zk7) | Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31 | Descriptor: | Chorismate mutase, Divalent-cation tolerance protein CutA | Authors: | Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T. | Deposit date: | 2015-04-30 | Release date: | 2015-07-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression. Protein Sci., 24, 2015
|
|
7UNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7unb by Molmil](/molmil-images/mine/7unb) | Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-117 and RUPA-47 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-117 Fab heavy chain, ... | Authors: | Hailemariam, S, McLeod, B, Julien, J.-P. | Deposit date: | 2022-04-10 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Vaccination with a structure-based stabilized version of malarial antigen Pfs48/45 elicits ultra-potent transmission-blocking antibody responses. Immunity, 55, 2022
|
|
5VL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vl4 by Molmil](/molmil-images/mine/5vl4) | Accidental minimum contact crystal lattice formed by a redesigned protein oligomer | Descriptor: | T33-53H-B | Authors: | Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T. | Deposit date: | 2017-04-24 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering. Protein Sci., 29, 2020
|
|
6MSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6msq by Molmil](/molmil-images/mine/6msq) | Crystal structure of pRO-2.3 | Descriptor: | pRO-2.3 | Authors: | Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D. | Deposit date: | 2018-10-17 | Release date: | 2019-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | De novo design of tunable, pH-driven conformational changes. Science, 364, 2019
|
|
6MSR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6msr by Molmil](/molmil-images/mine/6msr) | Crystal structure of pRO-2.5 | Descriptor: | pRO-2.5 | Authors: | Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D. | Deposit date: | 2018-10-17 | Release date: | 2019-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | De novo design of tunable, pH-driven conformational changes. Science, 364, 2019
|
|
8U0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u0t by Molmil](/molmil-images/mine/8u0t) | |
8U29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u29 by Molmil](/molmil-images/mine/8u29) | Prefusion structure of the PRD-0038 spike glycoprotein ectodomain trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PRD-0038 Spike glycoprotein, ... | Authors: | Lee, J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2023-09-05 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Broad receptor tropism and immunogenicity of a clade 3 sarbecovirus. Cell Host Microbe, 31, 2023
|
|
8UR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ur5 by Molmil](/molmil-images/mine/8ur5) | |
8UR7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ur7 by Molmil](/molmil-images/mine/8ur7) | |
8VQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vq9 by Molmil](/molmil-images/mine/8vq9) | |
8VQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vqb by Molmil](/molmil-images/mine/8vqb) | |
8VQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vqa by Molmil](/molmil-images/mine/8vqa) | |
8CYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cyk by Molmil](/molmil-images/mine/8cyk) | Crystal structure of hallucinated protein HALC1_878 | Descriptor: | HALC1_878 | Authors: | Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D. | Deposit date: | 2022-05-23 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Robust deep learning-based protein sequence design using ProteinMPNN. Science, 378, 2022
|
|
8F54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f54 by Molmil](/molmil-images/mine/8f54) | |
8F4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f4x by Molmil](/molmil-images/mine/8f4x) | |
8F53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f53 by Molmil](/molmil-images/mine/8f53) | |
8EK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ek4 by Molmil](/molmil-images/mine/8ek4) | |
8FWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fwd by Molmil](/molmil-images/mine/8fwd) | |
8GB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gb6 by Molmil](/molmil-images/mine/8gb6) | |