8E38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e38 by Molmil](/molmil-images/mine/8e38) | Purification of Enterovirus A71, strain 4643, WT capsid | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Catching, A, Capponi, S, Andino, R. | Deposit date: | 2022-08-16 | Release date: | 2023-08-30 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | A tradeoff between enterovirus A71 particle stability and cell entry. Nat Commun, 14, 2023
|
|
8E3A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e3a by Molmil](/molmil-images/mine/8e3a) | Purification of Enterovirus A71, strain 4643, WT capsid | Descriptor: | VP1, VP2, VP3, ... | Authors: | Catching, A, Capponi, S, Andino, R. | Deposit date: | 2022-08-16 | Release date: | 2023-08-30 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | A tradeoff between enterovirus A71 particle stability and cell entry. Nat Commun, 14, 2023
|
|
8E2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e2y by Molmil](/molmil-images/mine/8e2y) | Purification of Enterovirus A71, strain 4643, WT capsid | Descriptor: | Genome polyprotein, VP1, VP2 | Authors: | Catching, A, Capponi, S, Andino, R. | Deposit date: | 2022-08-16 | Release date: | 2023-08-30 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | A tradeoff between enterovirus A71 particle stability and cell entry. Nat Commun, 14, 2023
|
|
4TRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4trw by Molmil](/molmil-images/mine/4trw) | Structure of BACE1 complex with a syn-HEA-type inhibitor | Descriptor: | Beta-secretase 1, L-alpha-glutamyl-L-isoleucyl-N-[(2R,3S)-1-{[(1S)-1-carboxybutyl]amino}-2-hydroxy-5-methylhexan-3-yl]-3-thiophen-2-yl-L-alaninamide | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-06-18 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors Bioorg.Med.Chem., 23, 2015
|
|
6TI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ti5 by Molmil](/molmil-images/mine/6ti5) | A New Structural Model of Abeta(1-40) Fibrils | Descriptor: | Amyloid-beta precursor protein | Authors: | Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A. | Deposit date: | 2019-11-21 | Release date: | 2020-07-22 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
|
|
6UGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ugq by Molmil](/molmil-images/mine/6ugq) | Human Carbonic Anhydrase IX-mimic complexed with SB4-206 | Descriptor: | 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
|
|
6U4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u4t by Molmil](/molmil-images/mine/6u4t) | Carbonic anhydrase 9 in complex with SB4197 | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-08-26 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.356 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
|
|
6UH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uh0 by Molmil](/molmil-images/mine/6uh0) | Human Carbonic Anhydrase 2 in complex with SB4-202 | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.306 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
|
|
1GTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gto by Molmil](/molmil-images/mine/1gto) | |
5LHW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lhw by Molmil](/molmil-images/mine/5lhw) | Central Coiled-Coil Domain of Human STIL | Descriptor: | HEXAETHYLENE GLYCOL, SCL-interrupting locus protein | Authors: | Cottee, M.A, Lea, S.M. | Deposit date: | 2016-07-13 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies. Biol Open, 6, 2017
|
|
4RUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ruy by Molmil](/molmil-images/mine/4ruy) | |
6UGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ugr by Molmil](/molmil-images/mine/6ugr) | Human Carbonic Anhydrase 2 complexed with SB4-208 | Descriptor: | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.307 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
|
|
1HOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hoy by Molmil](/molmil-images/mine/1hoy) | NMR STRUCTURE OF THE COMPLEX BETWEEN A-BUNGAROTOXIN AND A MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR | Descriptor: | LONG NEUROTOXIN 1, MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR | Authors: | Scarselli, M, Spiga, O, Ciutti, A, Bracci, L, Lelli, B, Lozzi, L, Calamandrei, D, Bernini, A, Di Maro, D, Niccolai, N, Neri, P. | Deposit date: | 2000-12-12 | Release date: | 2000-12-27 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor. Biochemistry, 41, 2002
|
|
6U4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u4q by Molmil](/molmil-images/mine/6u4q) | Carbonic anhydrase 2 in complex with SB4197 | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-08-26 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.306 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
|
|
6UGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ugz by Molmil](/molmil-images/mine/6ugz) | Human Carbonic Anhydrase IX-mimic complexed with SB4-208 | Descriptor: | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.306 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
|
|
6UGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ugn by Molmil](/molmil-images/mine/6ugn) | Human Carbonic Anhydrase 2 complexed with SB4-205 | Descriptor: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Supuran, C.T, McKenna, R. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.406 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
|
|
6S7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s7n by Molmil](/molmil-images/mine/6s7n) | |
6EGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6egm by Molmil](/molmil-images/mine/6egm) | |
1EZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1eze by Molmil](/molmil-images/mine/1eze) | STRUCTURAL STUDIES OF A BABOON (PAPIO SP.) PLASMA PROTEIN INHIBITOR OF CHOLESTERYL ESTER TRANSFERASE. | Descriptor: | CHOLESTERYL ESTER TRANSFERASE INHIBITOR PROTEIN | Authors: | Buchko, G.W, Rozek, A, Kanda, P, Kennedy, M.A, Cushley, R.J. | Deposit date: | 2000-05-10 | Release date: | 2000-09-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural studies of a baboon (Papio sp.) plasma protein inhibitor of cholesteryl ester transferase. Protein Sci., 9, 2000
|
|
5FHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fhm by Molmil](/molmil-images/mine/5fhm) | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at resolution 1.55 A resolution | Descriptor: | (2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Kastrup, J.S, Frydenvang, K, Al-musaed, A. | Deposit date: | 2015-12-22 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues. J.Med.Chem., 59, 2016
|
|
6FLY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fly by Molmil](/molmil-images/mine/6fly) | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with mannose. | Descriptor: | Jacalin-like lectin, alpha-D-mannopyranose | Authors: | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | Deposit date: | 2018-01-29 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.749 Å) | Cite: | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem. Sci Rep, 8, 2018
|
|
4RG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rg8 by Molmil](/molmil-images/mine/4rg8) | Structural and biochemical studies of a moderately thermophilic Exonuclease I from Methylocaldum szegediense | Descriptor: | Exonuclease I, MAGNESIUM ION | Authors: | Fei, L, Tian, S, Moysey, R, Misca, M, Barker, J.J, Smith, M.A, McEwan, P.A, Pilka, E.S, Crawley, L, Evans, T, Sun, D. | Deposit date: | 2014-09-29 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural and Biochemical Studies of a Moderately Thermophilic Exonuclease I from Methylocaldum szegediense. Plos One, 10, 2015
|
|
4RUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ruz by Molmil](/molmil-images/mine/4ruz) | |
6FU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fu1 by Molmil](/molmil-images/mine/6fu1) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing. Molecules, 23, 2018
|
|
1HFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hfh by Molmil](/molmil-images/mine/1hfh) | SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE | Descriptor: | FACTOR H, 15TH AND 16TH C-MODULE PAIR | Authors: | Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D. | Deposit date: | 1993-02-23 | Release date: | 1993-07-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of a pair of complement modules by nuclear magnetic resonance. J.Mol.Biol., 232, 1993
|
|