6R99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r99 by Molmil](/molmil-images/mine/6r99) | |
6R79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r79 by Molmil](/molmil-images/mine/6r79) | Structure of IMP-13 metallo-beta-lactamase in apo form (loop open) | Descriptor: | BETA-MERCAPTOETHANOL, Beta-lactamase, GLYCEROL, ... | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | Deposit date: | 2019-03-28 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase. Antimicrob.Agents Chemother., 64, 2020
|
|
6RZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rzs by Molmil](/molmil-images/mine/6rzs) | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed ertapenem | Descriptor: | Beta-lactamase, ZINC ION, hydrolysed ertapenem | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | Deposit date: | 2019-06-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase. Antimicrob.Agents Chemother., 64, 2020
|
|
6RZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rzr by Molmil](/molmil-images/mine/6rzr) | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed imipenem | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | Deposit date: | 2019-06-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase. Antimicrob.Agents Chemother., 64, 2020
|
|
6RVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rvu by Molmil](/molmil-images/mine/6rvu) | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) | Descriptor: | 1,2-ETHANEDIOL, Lethal Factor 1 (BLF1) | Authors: | Mobbs, G.W, Aziz, A.A, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | Deposit date: | 2019-06-01 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1. Commun Biol, 5, 2022
|
|
6SPT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6spt by Molmil](/molmil-images/mine/6spt) | High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity | Descriptor: | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Napolitano, V, Dawidowski, M, Kalel, V.C, Fino, R, Emmanouilidis, L, Lenhart, D, Ostertag, M, Kaiser, M, Kolonko, M, Schilebs, W, Maser, P, Tetko, I, Hadian, K, Plettenburg, O, Erdmann, R, Sattler, M, Popowicz, G.M, Dubin, G. | Deposit date: | 2019-09-02 | Release date: | 2020-01-01 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity. J.Med.Chem., 63, 2020
|
|
6T3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3b by Molmil](/molmil-images/mine/6t3b) | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | Deposit date: | 2019-10-10 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
|
|
6T3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3c by Molmil](/molmil-images/mine/6t3c) | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648 | Descriptor: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | Deposit date: | 2019-10-10 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
|
|
6S0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s0h by Molmil](/molmil-images/mine/6s0h) | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed doripenem | Descriptor: | (2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M. | Deposit date: | 2019-06-14 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase. Antimicrob.Agents Chemother., 64, 2020
|
|
6S0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s0j by Molmil](/molmil-images/mine/6s0j) | Structure of Zika virus NS3 helicase in complex with ADP-MgF3(H2O)- | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Genome polyprotein, MAGNESIUM ION, ... | Authors: | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | Deposit date: | 2019-06-16 | Release date: | 2020-07-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor. Acs Catalysis, 11, 2021
|
|
6RWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rwz by Molmil](/molmil-images/mine/6rwz) | Structure of Zika virus NS3 helicase in complex with ADP-BeF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MANGANESE (II) ION, ... | Authors: | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | Deposit date: | 2019-06-07 | Release date: | 2020-07-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor. Acs Catalysis, 11, 2021
|
|
6T2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t2w by Molmil](/molmil-images/mine/6t2w) | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | Deposit date: | 2019-10-09 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
|
|
3QNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qnb by Molmil](/molmil-images/mine/3qnb) | Crystal Structure of an Engineered OXA-10 Variant with Carbapenemase Activity, OXA-10loop24 | Descriptor: | 1,2-ETHANEDIOL, Oxacillinase, SULFATE ION | Authors: | De Luca, F, Benvenuti, M, Carboni, F, Pozzi, C, Rossolini, G.M, Mangani, S, Docquier, J.D. | Deposit date: | 2011-02-08 | Release date: | 2011-11-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Evolution to carbapenem-hydrolyzing activity in noncarbapenemase class D {beta}-lactamase OXA-10 by rational protein design. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3QQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qq5 by Molmil](/molmil-images/mine/3qq5) | Crystal structure of the [FeFe]-hydrogenase maturation protein HydF | Descriptor: | Small GTP-binding protein | Authors: | Cendron, L, Berto, P, D'Adamo, S, Vallese, F, Govoni, C, Posewitz, M.C, Giacometti, G.M, Costantini, P, Zanotti, G. | Deposit date: | 2011-02-15 | Release date: | 2011-11-16 | Last modified: | 2012-01-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of HydF Scaffold Protein Provides Insights into [FeFe]-Hydrogenase Maturation. J.Biol.Chem., 286, 2011
|
|
3RMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rmp by Molmil](/molmil-images/mine/3rmp) | Structural basis for the recognition of attP substrates by P4-like integrases | Descriptor: | 5'-D(*TP*AP*AP*TP*GP*AP*CP*CP*AP*CP*CP*AP*AP*TP*A)-3', 5'-D(*TP*AP*TP*TP*GP*GP*TP*GP*GP*TP*CP*AP*TP*TP*A)-3', CP4-like integrase | Authors: | Szwagierczak, A, Popowicz, G.M, Holak, T.A, Rakin, A, Antonenka, U. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural basis for the recognition of attP substrates by P4-like integrases To be Published
|
|
3PLV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3plv by Molmil](/molmil-images/mine/3plv) | Structure of Hub-1 protein in complex with Snu66 peptide (HINDII) | Descriptor: | 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Ubiquitin-like modifier HUB1 | Authors: | Mishra, S.K, Ammon, T, Popowicz, G.M, Krajewski, M, Nagel, R.J, Ares, M, Holak, T.A, Jentsch, S. | Deposit date: | 2010-11-15 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing. Nature, 474, 2011
|
|
3RYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ryj by Molmil](/molmil-images/mine/3ryj) | Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide | Descriptor: | 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide, Carbonic anhydrase 2, ZINC ION | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.M. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
|
|
1TRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tru by Molmil](/molmil-images/mine/1tru) | |
1TRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1trw by Molmil](/molmil-images/mine/1trw) | |
1TRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1trv by Molmil](/molmil-images/mine/1trv) | |
1TNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tnt by Molmil](/molmil-images/mine/1tnt) | |
1TNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tns by Molmil](/molmil-images/mine/1tns) | |
3SIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sil by Molmil](/molmil-images/mine/3sil) | SIALIDASE FROM SALMONELLA TYPHIMURIUM | Descriptor: | GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Garman, E.F, Sheldrick, G.M. | Deposit date: | 1998-07-07 | Release date: | 1998-11-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | An Enzyme at Atomic Resolution: The 1.05 A Structure of Salmonella Typhimurium Neuraminidase (Sialidase) To be Published
|
|
3SZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sz7 by Molmil](/molmil-images/mine/3sz7) | |
3Q2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q2t by Molmil](/molmil-images/mine/3q2t) | Crystal Structure of CFIm68 RRM/CFIm25/RNA complex | Descriptor: | Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 6, RNA | Authors: | Yang, Q, Coseno, M, Gilmartin, G.M, Doublie, S. | Deposit date: | 2010-12-20 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.061 Å) | Cite: | Crystal Structure of a Human Cleavage Factor CFI(m)25/CFI(m)68/RNA Complex Provides an Insight into Poly(A) Site Recognition and RNA Looping. Structure, 19, 2011
|
|