8HU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hu4 by Molmil](/molmil-images/mine/8hu4) | Limosilactobacillus reuteri N1 GtfB | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Dong, J.J, Bai, Y.X. | Deposit date: | 2022-12-22 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme. J.Agric.Food Chem., 72, 2024
|
|
8HUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8huf by Molmil](/molmil-images/mine/8huf) | B28 in complex with CRM1-Ran-RanBP1 | Descriptor: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ... | Authors: | Sun, Q, Lei, Y. | Deposit date: | 2022-12-23 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors. J.Med.Chem., 66, 2023
|
|
8PKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pkw by Molmil](/molmil-images/mine/8pkw) | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
|
|
8PKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pkv by Molmil](/molmil-images/mine/8pkv) | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
|
|
8PKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pkx by Molmil](/molmil-images/mine/8pkx) | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
|
|
7PHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7phx by Molmil](/molmil-images/mine/7phx) | Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | Authors: | Pereira, P.J.B, Ripoll-Rozada, J, Calisto, B.M. | Deposit date: | 2021-08-18 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues. Chem.Commun.(Camb.), 57, 2021
|
|
8OY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oy0 by Molmil](/molmil-images/mine/8oy0) | ATP phosphoribosyltransferase (HisZG ATPPRT) from Acinetobacter baumanii | Descriptor: | ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, GLYCEROL, ... | Authors: | Alphey, M.S, Read, B, da Silva, R.G. | Deposit date: | 2023-05-03 | Release date: | 2023-11-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure, Steady-State, and Pre-Steady-State Kinetics of Acinetobacter baumannii ATP Phosphoribosyltransferase. Biochemistry, 63, 2024
|
|
8ORK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ork by Molmil](/molmil-images/mine/8ork) | cyclic 2,3-diphosphoglycerate synthetase from the hyperthermophilic archaeon Methanothermus fervidus | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | De Rose, S.A, Isupov, M. | Deposit date: | 2023-04-14 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural characterization of a novel cyclic 2,3-diphosphoglycerate synthetase involved in extremolyte production in the archaeon Methanothermus fervidus . Front Microbiol, 14, 2023
|
|
6O3A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o3a by Molmil](/molmil-images/mine/6o3a) | Crystal structure of Frizzled 7 CRD in complex with F7.B Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ... | Authors: | Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P. | Deposit date: | 2019-02-26 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
1O8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o8u by Molmil](/molmil-images/mine/1o8u) | The 2 Angstrom Structure of 6-Oxo Camphor Hydrolase: New Structural Diversity in the Crotonase Superfamily | Descriptor: | 6-OXO CAMPHOR HYDROLASE, SODIUM ION | Authors: | Grogan, G, Whittingham, J.L, Turkenburg, J.P, Verma, C.S, Walsh, M.A. | Deposit date: | 2002-12-04 | Release date: | 2003-01-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2 a Crystal Structure of 6-Oxo Camphor Hydrolase: New Structural Diversity in the Crotonase Superfamily J.Biol.Chem., 278, 2003
|
|
8OKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8okl by Molmil](/molmil-images/mine/8okl) | Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
|
|
8JTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jto by Molmil](/molmil-images/mine/8jto) | Outer membrane porin of Burkholderia pseudomallei (BpsOmp38) in complex with ceftazidime | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane porin (Fragment), SODIUM ION | Authors: | Bunkum, P, Aunkham, A, Bert van den, B, Robinson, R.C, Suginta, W. | Deposit date: | 2023-06-22 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and function of outer membrane protein from Burkholderia pseudomallei (BpsOmp38) To be published
|
|
8OKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8okm by Molmil](/molmil-images/mine/8okm) | Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
|
|
8OKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8okk by Molmil](/molmil-images/mine/8okk) | Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
|
|
8FP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fp7 by Molmil](/molmil-images/mine/8fp7) | |
8FP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fp6 by Molmil](/molmil-images/mine/8fp6) | |
8FP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fp8 by Molmil](/molmil-images/mine/8fp8) | |
8FPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fpm by Molmil](/molmil-images/mine/8fpm) | |
8OKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8okn by Molmil](/molmil-images/mine/8okn) | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
|
|
8FPD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fpd by Molmil](/molmil-images/mine/8fpd) | |
8FPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fpb by Molmil](/molmil-images/mine/8fpb) | |
8FSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fsf by Molmil](/molmil-images/mine/8fsf) | |
8FPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fpn by Molmil](/molmil-images/mine/8fpn) | |
8FT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ft2 by Molmil](/molmil-images/mine/8ft2) | |
8FPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fpp by Molmil](/molmil-images/mine/8fpp) | |