8IV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8iv4 by Molmil](/molmil-images/mine/8iv4) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
|
|
8WR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wr2 by Molmil](/molmil-images/mine/8wr2) | Crystal Structure of Human Pyridoxal Kinase with bound Luteolin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Fan, J, Zhu, Y. | Deposit date: | 2023-10-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase. Bioorg.Chem., 143, 2024
|
|
4O1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o1h by Molmil](/molmil-images/mine/4o1h) | Crystal Structure of the regulatory domain of AmeGlnR | Descriptor: | Transcription regulator GlnR | Authors: | Lin, W, Wang, C, Zhang, P. | Deposit date: | 2013-12-16 | Release date: | 2014-04-23 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions J.Biol.Chem., 289, 2014
|
|
4O1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o1i by Molmil](/molmil-images/mine/4o1i) | Crystal Structure of the regulatory domain of MtbGlnR | Descriptor: | Transcriptional regulatory protein | Authors: | Lin, W, Wang, C, Zhang, P. | Deposit date: | 2013-12-16 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions J.Biol.Chem., 289, 2014
|
|
5YL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yl2 by Molmil](/molmil-images/mine/5yl2) | Crystal structure of T2R-TTL-Y28 complex | Descriptor: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yang, J.H, Yang, T, Wen, J.L, Chen, L.J. | Deposit date: | 2017-10-16 | Release date: | 2018-04-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 2018
|
|
7MKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mkf by Molmil](/molmil-images/mine/7mkf) | |
7MKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mkg by Molmil](/molmil-images/mine/7mkg) | |
7MKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mkh by Molmil](/molmil-images/mine/7mkh) | |
5GPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gpp by Molmil](/molmil-images/mine/5gpp) | Crystal structure of zebrafish ASC PYD domain | Descriptor: | ACETATE ION, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, ... | Authors: | Jin, T, Li, Y. | Deposit date: | 2016-08-04 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional and structural characterization of zebrafish ASC. FEBS J., 285, 2018
|
|
5GPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gpq by Molmil](/molmil-images/mine/5gpq) | Crystal Structure of zebrafish ASC CARD Domain | Descriptor: | CITRIC ACID, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Jin, T, Li, Y. | Deposit date: | 2016-08-04 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Functional and structural characterization of zebrafish ASC. FEBS J., 285, 2018
|
|
6C3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c3l by Molmil](/molmil-images/mine/6c3l) | Crystal structure of BCL6 BTB domain with compound 15f | Descriptor: | B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea | Authors: | Linhares, B, Cheng, H, Cierpicki, T, Xue, F. | Deposit date: | 2018-01-10 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.46092153 Å) | Cite: | Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design. J.Med.Chem., 61, 2018
|
|
5U6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u6j by Molmil](/molmil-images/mine/5u6j) | Factor VIIa in complex with the inhibitor 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide | Descriptor: | 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide, CALCIUM ION, Coagulation factor VII Heavy Chain, ... | Authors: | Wei, A. | Deposit date: | 2016-12-08 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Neutral macrocyclic factor VIIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5L35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l35 by Molmil](/molmil-images/mine/5l35) | |
5L2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l2y by Molmil](/molmil-images/mine/5l2y) | Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,20-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6,8,10(21),16,19-hexaen-7-yl] cyclobutane-1-carboxylic acid | Descriptor: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-08-02 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
|
|
5L2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l2z by Molmil](/molmil-images/mine/5l2z) | Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid | Descriptor: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-08-02 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
|
|
5L30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l30 by Molmil](/molmil-images/mine/5l30) | Factor VIIa in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | Descriptor: | (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-08-02 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
|
|
6EAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eaz by Molmil](/molmil-images/mine/6eaz) | |
6EDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6edw by Molmil](/molmil-images/mine/6edw) | |
6EE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ee1 by Molmil](/molmil-images/mine/6ee1) | |
4A3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a3n by Molmil](/molmil-images/mine/4a3n) | Crystal Structure of HMG-BOX of Human SOX17 | Descriptor: | TRANSCRIPTION FACTOR SOX-17, ZINC ION | Authors: | Gao, N, Gao, H, Qian, H, Si, S, Xie, Y. | Deposit date: | 2011-10-01 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Human Transcription Factor Sry-Related Box 17 Binding to DNA. Protein Pept.Lett., 20, 2013
|
|
6EDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6edz by Molmil](/molmil-images/mine/6edz) | |
7RI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ri5 by Molmil](/molmil-images/mine/7ri5) | Structure of a BAM in MSP1E3D1 nanodiscs at 4 Angstrom resolution | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-19 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
|
|
7RJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rj5 by Molmil](/molmil-images/mine/7rj5) | The structure of BAM in complex with EspP at 7 Angstrom resolution | Descriptor: | Maltodextrin-binding protein,Autotransporter outer membrane beta-barrel domain-containing protein chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-20 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
|
|
7RI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ri6 by Molmil](/molmil-images/mine/7ri6) | |
7RI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ri7 by Molmil](/molmil-images/mine/7ri7) | The structure of BAM in MSP1D1 nanodiscs | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Wu, R.R, Noinaj, N. | Deposit date: | 2021-07-19 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nat Commun, 12, 2021
|
|