8UAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uac by Molmil](/molmil-images/mine/8uac) | CATHEPSIN L IN COMPLEX WITH AC1115 | Descriptor: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | Authors: | Chao, A, DuPrez, K.T, Han, F.Q. | Deposit date: | 2023-09-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | CATHEPSIN L IN COMPLEX WITH AC1115 To be Published
|
|
8WPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wpv by Molmil](/molmil-images/mine/8wpv) | Truncated mutant (1-171) of ferritin from Ureaplasma diversum soaked in Fe2+ solution for 30min | Descriptor: | CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ... | Authors: | Wang, W.M, Xi, H.F, Gong, W.J, Ma, D.Y, Wang, H.F. | Deposit date: | 2023-10-10 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.059 Å) | Cite: | Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages. J.Am.Chem.Soc., 146, 2024
|
|
9ATD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9atd by Molmil](/molmil-images/mine/9atd) | Crystal structure of MERS 3CL protease in complex with a ethylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 2024
|
|
8W0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w0v by Molmil](/molmil-images/mine/8w0v) | |
8XMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xmz by Molmil](/molmil-images/mine/8xmz) | |
8VBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vbw by Molmil](/molmil-images/mine/8vbw) | Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Ertapenem) inhibited form | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 1 | Authors: | Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J. | Deposit date: | 2023-12-12 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1. J.Struct.Biol., 216, 2024
|
|
8UDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8udt by Molmil](/molmil-images/mine/8udt) | The X-RAY co-crystal structure of human FGFR3 and KIN-3248 | Descriptor: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3 | Authors: | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | Deposit date: | 2023-09-29 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.829 Å) | Cite: | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations. J.Med.Chem., 67, 2024
|
|
9FBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fbx by Molmil](/molmil-images/mine/9fbx) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ... | Authors: | Chung, C. | Deposit date: | 2024-05-14 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787. J.Med.Chem., 67, 2024
|
|
8XN6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xn6 by Molmil](/molmil-images/mine/8xn6) | The Crystal Structure of GSK3b from Biortus. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glycogen synthase kinase-3 beta, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B. | Deposit date: | 2023-12-29 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of GSK3b from Biortus. To Be Published
|
|
8VM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vm2 by Molmil](/molmil-images/mine/8vm2) | Crystal Structure of NRAS Q61K bound to GTP | Descriptor: | GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gebregiworgis, T, Chan, J.Y.L, Kuntz, D.A, Prive, G.G, Marshall, C.B, Ikura, M. | Deposit date: | 2024-01-12 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of NRAS Q61K with a ligand-induced pocket near switch II. Eur J Cell Biol, 103, 2024
|
|
8W0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w0w by Molmil](/molmil-images/mine/8w0w) | |
8WD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wd3 by Molmil](/molmil-images/mine/8wd3) | The Crystal Structure of JMJD2A(M1-L359) from Biortus. | Descriptor: | Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C. | Deposit date: | 2023-09-14 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The Crystal Structure of JMJD2A(M1-L359) from Biortus. To Be Published
|
|
8W21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w21 by Molmil](/molmil-images/mine/8w21) | |
8XPT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xpt by Molmil](/molmil-images/mine/8xpt) | The Crystal Structure of EHMT1 from Biortus. | Descriptor: | Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C. | Deposit date: | 2024-01-04 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | The Crystal Structure of EHMT1 from Biortus. To Be Published
|
|
8WFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wfq by Molmil](/molmil-images/mine/8wfq) | The Crystal Structure of RALDH1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Aldehyde dehydrogenase 1A1 | Authors: | Wang, F, Cheng, W, Lv, Z, Qi, J, Shen, Z. | Deposit date: | 2023-09-20 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The Crystal Structure of RALDH1 from Biortus. To Be Published
|
|
8ZMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8zmn by Molmil](/molmil-images/mine/8zmn) | Crystal structure of ANTXR1 | Descriptor: | Anthrax toxin receptor 1, SODIUM ION | Authors: | Zheng, H, Hu, J, Fu, L, Chen, R. | Deposit date: | 2024-05-23 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | X-ray structure of Anthrax toxin receptor 1 APO from Rattus norvegicus To Be Published
|
|
8XP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xp5 by Molmil](/molmil-images/mine/8xp5) | The Crystal Structure of p53/BCL-xL fusion complex from Biortus. | Descriptor: | Bcl-2-like protein 1,Cellular tumor antigen p53, ZINC ION | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C. | Deposit date: | 2024-01-03 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Crystal Structure of p53/BCL-xL fusion complex from Biortus. To Be Published
|
|
8VW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vw2 by Molmil](/molmil-images/mine/8vw2) | |
8U78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u78 by Molmil](/molmil-images/mine/8u78) | Structure of a N-Me-D-Gln4,Lys10-teixobactin analogue | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, N-Methyl-D-Gln4,Lys10-teixobactin | Authors: | Nowick, J.S, Yang, H, Kreutzer, A.G. | Deposit date: | 2023-09-14 | Release date: | 2024-03-06 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Supramolecular Interactions of Teixobactin Analogues in the Crystal State. J.Org.Chem., 89, 2024
|
|
8XFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xfd by Molmil](/molmil-images/mine/8xfd) | Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348) | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Isoform L-type of Pyruvate kinase PKLR, MAGNESIUM ION, ... | Authors: | Sun, R, Achour, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348 Crystals, 2024
|
|
8V7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v7u by Molmil](/molmil-images/mine/8v7u) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ... | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-12-04 | Release date: | 2023-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 To Be Published
|
|
8TV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tv1 by Molmil](/molmil-images/mine/8tv1) | Structure of the EphA2 LBDCRD bound to FabS1C_L1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | Deposit date: | 2023-08-17 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To be published
|
|
8ZBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8zbo by Molmil](/molmil-images/mine/8zbo) | Crystal structure of the biphotochromic fluorescent protein moxSAASoti (F97M variant) in its green on-state | Descriptor: | 1,2-ETHANEDIOL, F97M variant of the biphotochromic fluorescent protein moxSAASoti, NITRATE ION, ... | Authors: | Boyko, K.M, Matyuta, I.O, Marynich, N.K, Minyaev, M.E, Khadiyatova, A.A, Popov, V.O, Savitsky, A.P. | Deposit date: | 2024-04-26 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and fluorescent study of the in cellulo crystallizable fluorescent protein moxSAASoti F97M To Be Published
|
|
9BKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bkw by Molmil](/molmil-images/mine/9bkw) | |
8VRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vru by Molmil](/molmil-images/mine/8vru) | GII.4c apo norovirus protruding domain | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | Deposit date: | 2024-01-22 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Advancement of norovirus therapies To Be Published
|
|