4RLU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rlu by Molmil](/molmil-images/mine/4rlu) | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with 2',4,4'-trihydroxychalcone | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 2',4,4'-TRIHYDROXYCHALCONE, ... | Authors: | Li, J, Dong, Y, Rao, Z.H. | Deposit date: | 2014-10-18 | Release date: | 2015-10-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors. Protein Cell, 6, 2015
|
|
4RLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rlj by Molmil](/molmil-images/mine/4rlj) | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Li, J, Dong, Y, Rao, Z.H. | Deposit date: | 2014-10-17 | Release date: | 2015-10-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors. Protein Cell, 6, 2015
|
|
4RLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rlt by Molmil](/molmil-images/mine/4rlt) | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with Fisetin | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 3,7,3',4'-TETRAHYDROXYFLAVONE, ... | Authors: | Li, J, Dong, Y, Rao, Z.H. | Deposit date: | 2014-10-18 | Release date: | 2015-10-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors. Protein Cell, 6, 2015
|
|
6IJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ijx by Molmil](/molmil-images/mine/6ijx) | Crystal Structure of AKR1C1 complexed with meclofenamic acid | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | Deposit date: | 2018-10-12 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
|
|
3E3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e3r by Molmil](/molmil-images/mine/3e3r) | |
6A7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a7a by Molmil](/molmil-images/mine/6a7a) | AKR1C1 complexed with new inhibitor with novel scaffold | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
|
|
5BPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bpa by Molmil](/molmil-images/mine/5bpa) | |
8K4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k4q by Molmil](/molmil-images/mine/8k4q) | |
6A7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a7b by Molmil](/molmil-images/mine/6a7b) | AKR1C3 complexed with new inhibitor with novel scaffold | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ... | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
|
|
6M1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m1i by Molmil](/molmil-images/mine/6m1i) | CryoEM structure of human PAC1 receptor in complex with PACAP38 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | Deposit date: | 2020-02-26 | Release date: | 2020-03-11 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism. Cell Res., 30, 2020
|
|
4DU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4du0 by Molmil](/molmil-images/mine/4du0) | Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant) | Descriptor: | CHLORIDE ION, GLYCEROL, Neutrophil defensin 1 | Authors: | Wu, X, Lu, W, Pazgier, M. | Deposit date: | 2012-02-21 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1 J.Biol.Chem., 287, 2012
|
|
6VII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vii by Molmil](/molmil-images/mine/6vii) | |
6VIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vih by Molmil](/molmil-images/mine/6vih) | The ligand-free structure of mouse RABL3 | Descriptor: | Rab-like protein 3 | Authors: | Su, L, Tomchick, D.R, Beutler, B. | Deposit date: | 2020-01-13 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.993 Å) | Cite: | Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6VIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vij by Molmil](/molmil-images/mine/6vij) | Crystal structure of mouse RABL3 in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rab-like protein 3 | Authors: | Su, L, Tomchick, D.R, Beutler, B. | Deposit date: | 2020-01-13 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6Y86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y86 by Molmil](/molmil-images/mine/6y86) | |
6M1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m1h by Molmil](/molmil-images/mine/6m1h) | CryoEM structure of human PAC1 receptor in complex with maxadilan | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | Deposit date: | 2020-02-26 | Release date: | 2020-03-11 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism. Cell Res., 30, 2020
|
|
6VIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vik by Molmil](/molmil-images/mine/6vik) | |
2AHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ahm by Molmil](/molmil-images/mine/2ahm) | Crystal structure of SARS-CoV super complex of non-structural proteins: the hexadecamer | Descriptor: | GLYCEROL, Replicase polyprotein 1ab, heavy chain, ... | Authors: | Zhai, Y.J, Sun, F, Bartlam, M, Rao, Z. | Deposit date: | 2005-07-28 | Release date: | 2005-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights into SARS-CoV transcription and replication from the structure of the nsp7-nsp8 hexadecamer NAT.STRUCT.MOL.BIOL., 12, 2005
|
|
4GMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gmb by Molmil](/molmil-images/mine/4gmb) | Crystal structure of human WD repeat domain 5 with compound MM-402 | Descriptor: | MM-402, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.781 Å) | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J.Med.Chem., 60, 2017
|
|
5BOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bot by Molmil](/molmil-images/mine/5bot) | |
5V7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v7r by Molmil](/molmil-images/mine/5v7r) | |
6K9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k9n by Molmil](/molmil-images/mine/6k9n) | Rice_OTUB_like_catalytic domain | Descriptor: | Ubiquitin thioesterase | Authors: | Lu, L.N, Liu, L, Wang, F. | Deposit date: | 2019-06-17 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
|
|
5BOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5boy by Molmil](/molmil-images/mine/5boy) | |
4JR6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jr6 by Molmil](/molmil-images/mine/4jr6) | Crystal structure of DsbA from Mycobacterium tuberculosis (reduced) | Descriptor: | Possible conserved membrane or secreted protein, SULFATE ION | Authors: | Wang, L. | Deposit date: | 2013-03-21 | Release date: | 2013-07-17 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c. Protein Cell, 4, 2013
|
|
6KBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kbe by Molmil](/molmil-images/mine/6kbe) | Structure of Deubiquitinase | Descriptor: | Polyubiquitin-C, Ubiquitin thioesterase | Authors: | Lu, L.N, Liu, L, Wang, F. | Deposit date: | 2019-06-24 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.339 Å) | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
|
|