6JK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jk9 by Molmil](/molmil-images/mine/6jk9) | Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-14 | Descriptor: | 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitinase | Authors: | Jiang, X, Yang, Q. | Deposit date: | 2019-02-27 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.312 Å) | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors. J.Med.Chem., 63, 2020
|
|
5GJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gj6 by Molmil](/molmil-images/mine/5gj6) | |
7X8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x8x by Molmil](/molmil-images/mine/7x8x) | structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease | Descriptor: | 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ... | Authors: | Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z. | Deposit date: | 2022-03-15 | Release date: | 2023-04-12 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors J.Med.Chem., 66, 2023
|
|
4RL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rl7 by Molmil](/molmil-images/mine/4rl7) | |
5YIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yim by Molmil](/molmil-images/mine/5yim) | Structure of a Legionella effector | Descriptor: | SdeA | Authors: | Feng, Y, Dong, Y, Wang, W. | Deposit date: | 2017-10-05 | Release date: | 2018-05-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.394 Å) | Cite: | Structural basis of ubiquitin modification by the Legionella effector SdeA. Nature, 557, 2018
|
|
5YIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yik by Molmil](/molmil-images/mine/5yik) | |
5YIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yij by Molmil](/molmil-images/mine/5yij) | Structure of a Legionella effector with substrates | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin | Authors: | Feng, Y, Mu, Y, Wang, H. | Deposit date: | 2017-10-05 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Structural basis of ubiquitin modification by the Legionella effector SdeA. Nature, 557, 2018
|
|
5YMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ymr by Molmil](/molmil-images/mine/5ymr) | The Crystal Structure of IseG | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | Deposit date: | 2017-10-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria. Nat Commun, 10, 2019
|
|
5Y93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y93 by Molmil](/molmil-images/mine/5y93) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
5Y8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y8w by Molmil](/molmil-images/mine/5y8w) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
5Y94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y94 by Molmil](/molmil-images/mine/5y94) | Crystal Structure Analysis of the BRD4 | Descriptor: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
5Y8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y8z by Molmil](/molmil-images/mine/5y8z) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
5Y8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y8y by Molmil](/molmil-images/mine/5y8y) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
5Y8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y8c by Molmil](/molmil-images/mine/5y8c) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
|
|
7X1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x1u by Molmil](/molmil-images/mine/7x1u) | Structure of Thyrotropin-Releasing Hormone Receptor bound with an Endogenous Peptide Agonist TRH. | Descriptor: | Endogenous Peptide Agonist TRH, 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, ... | Authors: | Yang, F, Zhang, H.H, Meng, X.Y, Li, Y.G, Zhou, Y.X, Ling, S.L, Liu, L, Shi, P, Tian, C.L. | Deposit date: | 2022-02-24 | Release date: | 2022-08-31 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural insights into thyrotropin-releasing hormone receptor activation by an endogenous peptide agonist or its orally administered analogue. Cell Res., 32, 2022
|
|
7XAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xav by Molmil](/molmil-images/mine/7xav) | Structure of somatostatin receptor 2 bound with lanreotide. | 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(i) subunit alpha-1, ... | Authors: | Bo, Q, Yang, F, Li, Y.G, Meng, X.Y, Zhang, H.H, Zhou, Y.X, Ling, S.L, Sun, D.M, Lv, P, Liu, L, Shi, P, Tian, C.L. | Deposit date: | 2022-03-19 | Release date: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structural insights into the activation of somatostatin receptor 2 by cyclic SST analogues. Cell Discov, 8, 2022
|
|
7XAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xat by Molmil](/molmil-images/mine/7xat) | Structure of somatostatin receptor 2 bound with SST14. | 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(i) subunit alpha-1, ... | Authors: | Bo, Q, Yang, F, Li, Y.G, Meng, X.Y, Zhang, H.H, Zhou, Y.X, Ling, S.L, Sun, D.M, Lv, P, Liu, L, Shi, P, Tian, C.L. | Deposit date: | 2022-03-19 | Release date: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural insights into the activation of somatostatin receptor 2 by cyclic SST analogues. Cell Discov, 8, 2022
|
|
7XAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xau by Molmil](/molmil-images/mine/7xau) | Structure of somatostatin receptor 2 bound with octreotide. | 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(i) subunit alpha-1, ... | Authors: | Bo, Q, Yang, F, Li, Y.G, Meng, X.Y, Zhang, H.H, Zhou, Y.X, Ling, S.L, Sun, D.M, Lv, P, Liu, L, Shi, P, Tian, C.L. | Deposit date: | 2022-03-19 | Release date: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structural insights into the activation of somatostatin receptor 2 by cyclic SST analogues. Cell Discov, 8, 2022
|
|
7X1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x1t by Molmil](/molmil-images/mine/7x1t) | Structure of Thyrotropin-Releasing Hormone Receptor bound with Taltirelin. | 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, ScFv16, ... | Authors: | Yang, F, Zhang, H.H, Meng, X.Y, Li, Y.G, Zhou, Y.X, Ling, S.L, Liu, L, Shi, P, Tian, C.L. | Deposit date: | 2022-02-24 | Release date: | 2022-08-31 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structural insights into thyrotropin-releasing hormone receptor activation by an endogenous peptide agonist or its orally administered analogue. Cell Res., 32, 2022
|
|
5Z1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z1s by Molmil](/molmil-images/mine/5z1s) | Crystal Structure Analysis of the BRD4(1) | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | Deposit date: | 2017-12-28 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
|
|
5Z1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z1r by Molmil](/molmil-images/mine/5z1r) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | Deposit date: | 2017-12-28 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
|
|
5Z1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z1t by Molmil](/molmil-images/mine/5z1t) | Crystal Structure Analysis of the BRD4(1) | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | Deposit date: | 2017-12-28 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
|
|
5XNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xnb by Molmil](/molmil-images/mine/5xnb) | |
5XG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xg8 by Molmil](/molmil-images/mine/5xg8) | Galectin-13/Placental Protein 13 variant R53H crystal structure | Descriptor: | GLYCEROL, Galactoside-binding soluble lectin 13 | Authors: | Wang, Y, Su, J.Y. | Deposit date: | 2017-04-12 | Release date: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138 Sci Rep, 8, 2018
|
|
5XG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xg7 by Molmil](/molmil-images/mine/5xg7) | Galectin-13/Placental Protein 13 crystal structure | Descriptor: | Galactoside-binding soluble lectin 13 | Authors: | Su, J.Y, Wang, Y. | Deposit date: | 2017-04-12 | Release date: | 2018-01-31 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138 Sci Rep, 8, 2018
|
|