4MPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mpc by Molmil](/molmil-images/mine/4mpc) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2 | Descriptor: | 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-12 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
|
|
7ENQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7enq by Molmil](/molmil-images/mine/7enq) | Crystal structure of human NAMPT in complex with compound NAT | Descriptor: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y. | Deposit date: | 2021-04-19 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.204966 Å) | Cite: | Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity. Cell Res., 32, 2022
|
|
4MP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mp7 by Molmil](/molmil-images/mine/4mp7) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7 | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-12 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
|
|
6C54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c54 by Molmil](/molmil-images/mine/6c54) | Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit | Descriptor: | Nucleoprotein | Authors: | Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W. | Deposit date: | 2018-01-13 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly. Cell, 172, 2018
|
|
7CJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cjt by Molmil](/molmil-images/mine/7cjt) | Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59 | Descriptor: | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | Authors: | Guo, Y.P, Liang, X, Mao, X, Wu, C, Luyi, H, Yang, S. | Deposit date: | 2020-07-13 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.474 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7YDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ydx by Molmil](/molmil-images/mine/7ydx) | Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | Deposit date: | 2022-07-04 | Release date: | 2023-04-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. Nat Commun, 13, 2022
|
|
2L5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l5a by Molmil](/molmil-images/mine/2l5a) | Structural basis for recognition of centromere specific histone H3 variant by nonhistone Scm3 | Descriptor: | Histone H3-like centromeric protein CSE4, Protein SCM3, Histone H4 | Authors: | Zhou, Z, Feng, H, Zhou, B, Ghirlando, R, Hu, K, Zwolak, A, Jenkins, L, Xiao, H, Tjandra, N, Wu, C, Bai, Y. | Deposit date: | 2010-10-28 | Release date: | 2011-03-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for recognition of centromere histone variant CenH3 by the chaperone Scm3. Nature, 472, 2011
|
|
7DAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dad by Molmil](/molmil-images/mine/7dad) | EPD in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y, Wu, C. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
|
|
2JSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jss by Molmil](/molmil-images/mine/2jss) | NMR structure of chaperone Chz1 complexed with histone H2A.Z-H2B | Descriptor: | Chimera of Histone H2B.1 and Histone H2A.Z, Uncharacterized protein YER030W | Authors: | Zhou, Z, Feng, H, Hansen, D.F, Kato, H, Luk, E, Freedberg, D.I, Kay, L.E, Wu, C, Bai, Y. | Deposit date: | 2007-07-11 | Release date: | 2008-05-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure of chaperone Chz1 complexed with histones H2A.Z-H2B. Nat.Struct.Mol.Biol., 15, 2008
|
|
2LAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2las by Molmil](/molmil-images/mine/2las) | Molecular Determinants of Paralogue-Specific SUMO-SIM Recognition | Descriptor: | M-IR2_peptide, Small ubiquitin-related modifier 1 | Authors: | Namanja, A, Li, Y, Su, Y, Wong, S, Lu, J, Colson, L, Wu, C, Li, S, Chen, Y. | Deposit date: | 2011-03-20 | Release date: | 2011-12-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into High Affinity Small Ubiquitin-like Modifier (SUMO) Recognition by SUMO-interacting Motifs (SIMs) Revealed by a Combination of NMR and Peptide Array Analysis. J.Biol.Chem., 287, 2012
|
|
5VAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vap by Molmil](/molmil-images/mine/5vap) | Crystal structure of eVP30 C-terminus and eNP peptide | Descriptor: | Minor nucleoprotein VP30, NP | Authors: | XU, W, WU, C, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2017-03-27 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis. Nat Commun, 8, 2017
|
|
7CD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cd9 by Molmil](/molmil-images/mine/7cd9) | Crystal Structure of SETDB1 tudor domain in complexed with Compound 6 | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, Histone-lysine N-methyltransferase SETDB1 | Authors: | Xiong, L, Guo, Y, Mao, X, Huang, L, Wu, C, Yang, S. | Deposit date: | 2020-06-19 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7ELY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ely by Molmil](/molmil-images/mine/7ely) | |
7XGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xgd by Molmil](/molmil-images/mine/7xgd) | Cryo-EM structure of Apo-IGF1R map 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor 1 receptor | Authors: | Zhang, X, Wu, C. | Deposit date: | 2022-04-04 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structure of Apo-IGF1R To Be Published
|
|
7YRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yrv by Molmil](/molmil-images/mine/7yrv) | |
7YRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yrw by Molmil](/molmil-images/mine/7yrw) | |
7YRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yrx by Molmil](/molmil-images/mine/7yrx) | |
7YIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yim by Molmil](/molmil-images/mine/7yim) | Cryo-EM structure of human Alpha-fetoprotein | Descriptor: | Alpha-fetoprotein | Authors: | Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W. | Deposit date: | 2022-07-17 | Release date: | 2023-01-18 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Uniform thin ice on ultraflat graphene for high-resolution cryo-EM. Nat.Methods, 20, 2023
|
|
4LC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lc7 by Molmil](/molmil-images/mine/4lc7) | Aminooxazoline inhibitor of BACE-1 | Descriptor: | (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, Beta-Secretase-1, NICKEL (II) ION | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wu, C, Wang, W, Smith, D, Vigers, G.P.A, Dutcher, D, Hunt, K.W, Siu, M. | Deposit date: | 2013-06-21 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1) Tetrahedron Lett., 2013
|
|
7CIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ciw by Molmil](/molmil-images/mine/7ciw) | |
7CNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cnn by Molmil](/molmil-images/mine/7cnn) | vinorelbine in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y.X, Wu, C.Y. | Deposit date: | 2020-08-02 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design. Febs Lett., 595, 2021
|
|
7CNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cnm by Molmil](/molmil-images/mine/7cnm) | YDX in complex with tubulin | Descriptor: | (2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y.X, Wu, C.Y. | Deposit date: | 2020-08-02 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design. Febs Lett., 595, 2021
|
|
7XQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xqx by Molmil](/molmil-images/mine/7xqx) | Crystal structure of T2R-TTL-27a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ... | Authors: | Lun, T, Wu, C.Y. | Deposit date: | 2022-05-09 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Crystal structure of T2R-TT complex To Be Published
|
|
7XR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xr0 by Molmil](/molmil-images/mine/7xr0) | Crystal structure of T2R-TTL-27a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ... | Authors: | Lun, T, Wu, C.Y. | Deposit date: | 2022-05-09 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of T2R-TTL-27a complex To Be Published
|
|
7XR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xr1 by Molmil](/molmil-images/mine/7xr1) | Crystal structure of T2R-TTL-3a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ... | Authors: | Lun, T, Wu, C.Y. | Deposit date: | 2022-05-09 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of T2R-TTL-3a complex To Be Published
|
|