4UCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ucs by Molmil](/molmil-images/mine/4ucs) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
|
|
4UCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uco by Molmil](/molmil-images/mine/4uco) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
|
|
4UCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ucv by Molmil](/molmil-images/mine/4ucv) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
|
|
4UCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ucr by Molmil](/molmil-images/mine/4ucr) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
|
|
4V7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v7f by Molmil](/molmil-images/mine/4v7f) | Arx1 pre-60S particle. | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Leidig, C, Thoms, M, Holdermann, I, Bradatsch, B, Berninghausen, O, Bange, G, Sinning, I, Hurt, E, Beckmann, R. | Deposit date: | 2013-12-10 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | 60S ribosome biogenesis requires rotation of the 5S ribonucleoprotein particle. Nat Commun, 5, 2014
|
|
4V1A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v1a by Molmil](/molmil-images/mine/4v1a) | Structure of the large subunit of the mammalian mitoribosome, part 2 of 2 | Descriptor: | MITORIBOSOMAL PROTEIN ML37, MRPL37, MITORIBOSOMAL PROTEIN ML38, ... | Authors: | Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N. | Deposit date: | 2014-09-25 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome Nature, 515, 2014
|
|
4V5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v5h by Molmil](/molmil-images/mine/4v5h) | E.Coli 70s Ribosome Stalled During Translation Of Tnac Leader Peptide. | Descriptor: | 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Seidelt, B, Innis, C.A, Wilson, D.N, Gartmann, M, Armache, J, Villa, E, Trabuco, L.G, Becker, T, Mielke, T, Schulten, K, Steitz, T.A, Beckmann, R. | Deposit date: | 2009-10-26 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Structural insight into nascent polypeptide chain-mediated translational stalling. Science, 326, 2009
|
|
4V4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v4g by Molmil](/molmil-images/mine/4v4g) | Crystal structure of five 70s ribosomes from Escherichia Coli in complex with protein Y. | Descriptor: | 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ... | Authors: | Vila-Sanjurjo, A, Schuwirth, B.S, Hau, C.W, Cate, J.H. | Deposit date: | 2004-10-06 | Release date: | 2014-07-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (11.5 Å) | Cite: | Structural basis for the control of translation initiation during stress. Nat.Struct.Mol.Biol., 11, 2004
|
|
4W55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w55 by Molmil](/molmil-images/mine/4w55) | T4 Lysozyme L99A with n-Propylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6401 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4W58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w58 by Molmil](/molmil-images/mine/4w58) | T4 Lysozyme L99A with n-Pentylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
9EUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9eup by Molmil](/molmil-images/mine/9eup) | Inhibitor-free outward-open structure of Drosophila dopamine transporter | Descriptor: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | Deposit date: | 2024-03-27 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
|
|
2AVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ava by Molmil](/molmil-images/mine/2ava) | |
9C83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c83 by Molmil](/molmil-images/mine/9c83) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide | Authors: | Liu, F, Shoichet, B.K. | Deposit date: | 2024-06-11 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
|
|
9ER3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9er3 by Molmil](/molmil-images/mine/9er3) | |
9BEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bei by Molmil](/molmil-images/mine/9bei) | |
8YRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yrg by Molmil](/molmil-images/mine/8yrg) | CryoEM structure of fospropofol-bound MRGPRX4-Gq complex | Descriptor: | Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Cao, C, Fay, J.F, Roth, B.L. | Deposit date: | 2024-03-21 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model. Sci Transl Med, 16, 2024
|
|
9FWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fwc by Molmil](/molmil-images/mine/9fwc) | Coxsackievirus B3 3C protease in C121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-28 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
|
|
9CK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ck3 by Molmil](/molmil-images/mine/9ck3) | Cryo-EM structure of in-vitro alpha-synuclein fibril | Descriptor: | Alpha-synuclein | Authors: | Sanchez, J.C, Borcik, C.G, Tonelli, M, Sibert, B, Rienstra, C.M, Wright, E.R. | Deposit date: | 2024-07-08 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.04 Å) | Cite: | Multimodal High-Resolution Structure Determination Of Alpha-Synuclein Fibrils To Be Published
|
|
9C8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c8j by Molmil](/molmil-images/mine/9c8j) | |
9FQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fq2 by Molmil](/molmil-images/mine/9fq2) | Poliovirus 3C protease in H32 spacegroup | Descriptor: | Protease 3C | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Poliovirus 3C protease in H32 spacegroup To Be Published
|
|
8YC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yc0 by Molmil](/molmil-images/mine/8yc0) | T cell receptor V delta2 V gamma9 in GDN | Descriptor: | CHOLESTEROL, T cell receptor delta variable 2,T cell receptor delta constant, T cell receptor gamma variable 9,T cell receptor gamma constant 1, ... | Authors: | Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q. | Deposit date: | 2024-02-17 | Release date: | 2024-05-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.12 Å) | Cite: | Structures of human gamma delta T cell receptor-CD3 complex. Nature, 630, 2024
|
|
9C6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c6p by Molmil](/molmil-images/mine/9c6p) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase | Authors: | Liu, F, Shoichet, B.K. | Deposit date: | 2024-06-08 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.663 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
|
|
2AJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aje by Molmil](/molmil-images/mine/2aje) | Solution structure of the Arabidopsis thaliana telomeric repeat-binding protein DNA binding domain | Descriptor: | telomere repeat-binding protein | Authors: | Hsiao, H.H, Sue, S.C, Chung, B.C, Cheng, Y.H, Huang, T.H. | Deposit date: | 2005-08-01 | Release date: | 2006-07-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the Arabidopsis thaliana telomeric repeat-binding protein DNA binding domain: a new fold with an additional C-terminal helix J.Mol.Biol., 356, 2006
|
|
9C84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c84 by Molmil](/molmil-images/mine/9c84) | |
9C81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c81 by Molmil](/molmil-images/mine/9c81) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase | Authors: | Liu, F, Shoichet, B.K, Bassim, V. | Deposit date: | 2024-06-11 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
|
|