4MHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mha by Molmil](/molmil-images/mine/4mha) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817 | Descriptor: | 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis. J.Med.Chem., 56, 2013
|
|
4K65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k65 by Molmil](/molmil-images/mine/4k65) | Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-04-15 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level. Science, 340, 2013
|
|
4K64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k64 by Molmil](/molmil-images/mine/4k64) | Structure of an avian influenza H5 hemagglutinin from the influenza virus complexed with human receptor analog LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-04-15 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level. Science, 340, 2013
|
|
4K66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k66 by Molmil](/molmil-images/mine/4k66) | Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with avian receptor analog LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-04-15 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level. Science, 340, 2013
|
|
4MH7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mh7 by Molmil](/molmil-images/mine/4mh7) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide, ... | Authors: | Zhang, W, McIver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, M.J, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, DiPaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis. J.Med.Chem., 56, 2013
|
|
4K63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k63 by Molmil](/molmil-images/mine/4k63) | Structure of an avian influenza H5 hemagglutinin from the influenza virus complexed with avian receptor analog LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-04-15 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level. Science, 340, 2013
|
|
4K62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k62 by Molmil](/molmil-images/mine/4k62) | Structure of an avian influenza H5 hemagglutinin from the influenza virus A/Indonesia/5/2005 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-04-15 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level. Science, 340, 2013
|
|
7VJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vjt by Molmil](/molmil-images/mine/7vjt) | Crystal Structure of Mtb Pks13-TE in complex with inhibitor coumestan derivative 8 | Descriptor: | 3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one, Polyketide synthase Pks13 (Termination polyketide synthase) | Authors: | Zhang, W, Wang, S.S, Yu, L.F. | Deposit date: | 2021-09-28 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure-Based Optimization of Coumestan Derivatives as Polyketide Synthase 13-Thioesterase(Pks13-TE) Inhibitors with Improved hERG Profiles for Mycobacterium tuberculosis Treatment. J.Med.Chem., 65, 2022
|
|
7UFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ufk by Molmil](/molmil-images/mine/7ufk) | Crystal structure of chimeric omicron RBD (strain BA.2) complexed with human ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F. | Deposit date: | 2022-03-22 | Release date: | 2022-10-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ufl by Molmil](/molmil-images/mine/7ufl) | Crystal structure of chimeric omicron RBD (strain BA.2) complexed with chimeric mouse ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F. | Deposit date: | 2022-03-22 | Release date: | 2022-10-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
4URD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4urd by Molmil](/molmil-images/mine/4urd) | Cryo-EM map of Trigger Factor bound to a translating ribosome | Descriptor: | TRIGGER FACTOR | Authors: | Deeng, J, Chan, K.Y, van der Sluis, E, Bischoff, L, Berninghausen, O, Han, W, Gumbart, J, Schulten, K, Beatrix, B, Beckmann, R. | Deposit date: | 2014-06-27 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Dynamic Behavior of Trigger Factor on the Ribosome. J.Mol.Biol., 428, 2016
|
|
8WX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wx7 by Molmil](/molmil-images/mine/8wx7) | Crystal structure of SHP2 in complex with JAB-3186 | Descriptor: | (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Ma, C, Gao, P, Kang, D, Han, H, Sun, X, Zhang, W, Qian, D, Wang, Y, Long, W. | Deposit date: | 2023-10-27 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of JAB-3312, a Potent SHP2 Allosteric Inhibitor for Cancer Treatment. J.Med.Chem., 2024
|
|
4OLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ols by Molmil](/molmil-images/mine/4ols) | The amidase-2 domain of LysGH15 | Descriptor: | Endolysin, FE (III) ION, MAGNESIUM ION, ... | Authors: | Gu, J, Ouyang, S, Liu, Z.J, Han, W. | Deposit date: | 2014-01-24 | Release date: | 2014-06-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin. Plos Pathog., 10, 2014
|
|
4OLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4olk by Molmil](/molmil-images/mine/4olk) | The CHAP domain of LysGH15 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin | Authors: | Gu, J, Ouyang, S, Liu, Z.J, Han, W. | Deposit date: | 2014-01-24 | Release date: | 2014-05-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin. Plos Pathog., 10, 2014
|
|
4V50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v50 by Molmil](/molmil-images/mine/4v50) | Crystal Structure of Ribosome with messenger RNA and the Anticodon stem-loop of P-site tRNA. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Berk, V, Zhang, W, Pai, R.D, Cate, J.H.D. | Deposit date: | 2006-08-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Structural basis for mRNA and tRNA positioning on the ribosome. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
4V5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v5y by Molmil](/molmil-images/mine/4v5y) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with paromomycin and ribosome recycling factor (RRF). | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-19 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.45 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
|
|
4V49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v49 by Molmil](/molmil-images/mine/4v49) | Crystal Structure of a Streptomycin Dependent Ribosome from E. Coli 70S Ribosome. | Descriptor: | 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ... | Authors: | Vila-Sanjurjo, A, Ridgeway, W.K, Seymaner, V, Zhang, W, Santoso, S, Yu, K, Cate, J.H.D. | Deposit date: | 2003-06-13 | Release date: | 2014-07-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (8.7 Å) | Cite: | X-ray Crystal Structures of the WT and a Hyper-Accurate Ribosome From Escherichia Coli Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
4V53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v53 by Molmil](/molmil-images/mine/4v53) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with gentamicin. | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, 23S rRNA, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.54 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
|
|
9ERY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ery by Molmil](/molmil-images/mine/9ery) | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | Descriptor: | 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION | Authors: | Plewka, J, Magiera-Mularz, K, Zhang, W. | Deposit date: | 2024-03-25 | Release date: | 2024-07-24 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors. Eur.J.Med.Chem., 276, 2024
|
|
8XIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xif by Molmil](/molmil-images/mine/8xif) | The crystal structure of the AEP domain of VACV D5 | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | Authors: | Gan, J, Zhang, W. | Deposit date: | 2023-12-19 | Release date: | 2024-05-01 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus. Cell Discov, 10, 2024
|
|
8XIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xig by Molmil](/molmil-images/mine/8xig) | The crystal structure of the AEP domain of MPXV E5 | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | Authors: | Gan, J, Zhang, W. | Deposit date: | 2023-12-19 | Release date: | 2024-05-01 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus. Cell Discov, 10, 2024
|
|
7MOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7moo by Molmil](/molmil-images/mine/7moo) | L-type DNA containing 2'-fluoro-2'-deoxycytidine | Descriptor: | DNA (5'-D(*(0DG)P*(OFC)P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DG)P*(0DC))-3') | Authors: | Dantsu, Y, Zhang, Y, Zhang, W. | Deposit date: | 2021-05-03 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Synthesis of 2'-Deoxy-2'-fluoro-L-cytidine and Fluorinated L-Nucleic Acids for Structural Studies Chemistryselect, 6, 2021
|
|
2L89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l89 by Molmil](/molmil-images/mine/2l89) | |
8OG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8og2 by Molmil](/molmil-images/mine/8og2) | Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A | Descriptor: | COENZYME A, SODIUM ION, SULFATE ION, ... | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-03-17 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A To Be Published
|
|
5VKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vkq by Molmil](/molmil-images/mine/5vkq) | Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L | Authors: | Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y. | Deposit date: | 2017-04-22 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Electron cryo-microscopy structure of the mechanotransduction channel NOMPC. Nature, 547, 2017
|
|