5L1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l1u by Molmil](/molmil-images/mine/5l1u) | |
5L3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l3j by Molmil](/molmil-images/mine/5l3j) | ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR | Descriptor: | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid, DNA gyrase subunit B, IODIDE ION | Authors: | Gjorgjieva, M, Tomasic, T, Barancokova, M, Katsamakas, S, Ilas, J, Montalvao, S, Tammella, P, Peterlin Masic, L, Kikelj, D. | Deposit date: | 2016-05-23 | Release date: | 2016-08-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors. J.Med.Chem., 59, 2016
|
|
5C4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c4w by Molmil](/molmil-images/mine/5c4w) | Crystal structure of coxsackievirus A16 | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-18 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
|
|
5XYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xyy by Molmil](/molmil-images/mine/5xyy) | The structure of p38 alpha in complex with a triazol inhibitor | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
|
|
5CBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cbh by Molmil](/molmil-images/mine/5cbh) | Structural and Functional Characterization of a Calcium-activated Cation channel from Tsukamurella Paurometabola | Descriptor: | CALCIUM ION, Ion transport 2 domain protein | Authors: | Dhakshnamoorthy, B, Rohaim, A, Rui, H, Blachowicz, L, Roux, B. | Deposit date: | 2015-06-30 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Structural and functional characterization of a calcium-activated cation channel from Tsukamurella paurometabola. Nat Commun, 7, 2016
|
|
5CBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cbt by Molmil](/molmil-images/mine/5cbt) | Human Cyclophilin D Complexed with Inhibitor | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, POTASSIUM ION, ... | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-01 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor To Be Published
|
|
1YOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yoe by Molmil](/molmil-images/mine/1yoe) | |
5C7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c7i by Molmil](/molmil-images/mine/5c7i) | |
1YOW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yow by Molmil](/molmil-images/mine/1yow) | human Steroidogenic Factor 1 LBD with bound Co-factor Peptide | Descriptor: | PHOSPHATIDYL ETHANOL, Steroidogenic factor 1, TIF2 peptide | Authors: | Krylova, I.N, Sablin, E.P, Xu, R.X, Waitt, G.M, Juzumiene, D, Williams, J.D, Ingraham, H.A, Willson, T.M, Williams, S.P, Montana, V, Madauss, K.P, Moore, J, Bynum, J.M, Lebedeva, L, MacKay, J.A, Suzawa, M, Guy, R.K, Thornton, J.W. | Deposit date: | 2005-01-28 | Release date: | 2005-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1 Cell(Cambridge,Mass.), 120, 2005
|
|
5L8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l8a by Molmil](/molmil-images/mine/5l8a) | Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, GLYCINE, ... | Authors: | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | Deposit date: | 2016-06-07 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites. Science, 355, 2017
|
|
1YPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ypv by Molmil](/molmil-images/mine/1ypv) | |
7QFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qfx by Molmil](/molmil-images/mine/7qfx) | Crystal structure of Old Yellow Enzyme AnOYE8 from Aspergillus niger | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN MONONUCLEOTIDE, NADH-dependent flavin oxidoreductase, ... | Authors: | Robescu, M.S, Loprete, G, Vascon, F, Gasparotto, M, Filippini, F, Bergantino, E, Cendron, L. | Deposit date: | 2021-12-06 | Release date: | 2022-04-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Family Keeps on Growing: Four Novel Fungal OYEs Characterized. Int J Mol Sci, 23, 2022
|
|
7QYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qyn by Molmil](/molmil-images/mine/7qyn) | Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | Deposit date: | 2022-01-28 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase. Chemistry, 28, 2022
|
|
5C9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c9a by Molmil](/molmil-images/mine/5c9a) | Crystal structure of empty coxsackievirus A16 particle | Descriptor: | CHLORIDE ION, POTASSIUM ION, SPHINGOSINE, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-26 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
|
|
1OEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oex by Molmil](/molmil-images/mine/1oex) | Atomic Resolution Structure of Endothiapepsin in Complex with a Hydroxyethylene Transition State Analogue Inhibitor H261 | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, INHIBITOR H261, ... | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | Deposit date: | 2003-03-31 | Release date: | 2003-04-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides Protein Sci., 12, 2003
|
|
1OEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oew by Molmil](/molmil-images/mine/1oew) | ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, SERINE, ... | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | Deposit date: | 2003-03-31 | Release date: | 2003-04-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides Protein Sci., 12, 2003
|
|
5Y4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y4z by Molmil](/molmil-images/mine/5y4z) | Crystal structure of the Zika virus NS3 helicase complex with AMPPNP | Descriptor: | MANGANESE (II) ION, NS3 helicase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Li, L. | Deposit date: | 2017-08-06 | Release date: | 2017-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural view of the helicase reveals that Zika virus uses a conserved mechanism for unwinding RNA Acta Crystallogr.,Sect.F, 74, 2018
|
|
1YTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yty by Molmil](/molmil-images/mine/1yty) | Structural basis for recognition of UUUOH 3'-terminii of nascent RNA pol III transcripts by La autoantigen | Descriptor: | 5'-R(*UP*GP*CP*UP*GP*UP*UP*UP*U)-3', Lupus La protein | Authors: | Teplova, M, Yuan, Y.R, Ilin, S, Malinina, L, Phan, A.T, Teplov, A, Patel, D.J. | Deposit date: | 2005-02-11 | Release date: | 2006-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural Basis for Recognition and Sequestration of UUU(OH) 3' Temini of Nascent RNA Polymerase III Transcripts by La, a Rheumatic Disease Autoantigen. Mol.Cell, 21, 2006
|
|
1YUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yud by Molmil](/molmil-images/mine/1yud) | X-ray Crystal Structure of Protein SO0799 from Shewanella oneidensis. Northeast Structural Genomics Consortium Target SoR12. | Descriptor: | hypothetical protein SO0799 | Authors: | Kuzin, A.P, Vorobiev, S, Chen, Y, Forouhar, F, Acton, T, Ma, L.-C, Xiao, R, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-02-14 | Release date: | 2005-03-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of hypothetical protein SO0799 from Shewanella oneidensis To be Published
|
|
5L1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l1t by Molmil](/molmil-images/mine/5l1t) | |
5YKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ykg by Molmil](/molmil-images/mine/5ykg) | |
5L9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l9z by Molmil](/molmil-images/mine/5l9z) | Crystal structure of human heparanase nucleophile mutant (E343Q), in complex with unreacted glucuronic acid configured aziridine probe JJB355 | Descriptor: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
|
|
5YM0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ym0 by Molmil](/molmil-images/mine/5ym0) | The crystal structure of DHAD | Descriptor: | Dihydroxy-acid dehydratase, chloroplastic, SULFATE ION | Authors: | Zang, X, Huang, W.X, Cheng, R, Wu, L, Zhou, J.H, Tang, Y, Yan, Y. | Deposit date: | 2017-10-20 | Release date: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | The crystal structure of DHAD To Be Published
|
|
5YAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yav by Molmil](/molmil-images/mine/5yav) | Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction | Descriptor: | 1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Bing, X, Yanlian, L, Danyan, C. | Deposit date: | 2017-09-01 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction To Be Published
|
|
5LAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lad by Molmil](/molmil-images/mine/5lad) | |