8DCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dcf by Molmil](/molmil-images/mine/8dcf) | RNA ligase RtcB from Pyrococcus horikoshii in complex with Cu2+ and GTP | Descriptor: | CHLORIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2022-06-16 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP. Rna, 28, 2022
|
|
8DCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dca by Molmil](/molmil-images/mine/8dca) | RNA ligase RtcB from Pyrococcus horikoshii in complex with Co2+ and GTP | Descriptor: | COBALT (II) ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | Deposit date: | 2022-06-16 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structures of RNA ligase RtcB in complexes with divalent cations and GTP. Rna, 28, 2022
|
|
5LVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lvo by Molmil](/molmil-images/mine/5lvo) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket | Descriptor: | 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
|
|
6USJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6usj by Molmil](/molmil-images/mine/6usj) | Structure of two nucleosomes bridged by human PARP2 | Descriptor: | Histone H2A, Histone H2B type 1-J, Histone H3.1, ... | Authors: | Gaullier, G, Bowerman, S, Luger, K. | Deposit date: | 2019-10-27 | Release date: | 2020-10-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10.5 Å) | Cite: | Bridging of nucleosome-proximal DNA double-strand breaks by PARP2 enhances its interaction with HPF1. Plos One, 15, 2020
|
|
7T7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t7n by Molmil](/molmil-images/mine/7t7n) | Structure of SPCC1393.13 protein from fission yeast | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Damage-control phosphatase SPCC1393.13, PHOSPHATE ION | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | Deposit date: | 2021-12-15 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate. J.Biol.Chem., 298, 2022
|
|
7T7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t7o by Molmil](/molmil-images/mine/7t7o) | |
7T7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t7k by Molmil](/molmil-images/mine/7t7k) | Structure of SPAC806.04c protein from fission yeast bound to Co2+ | Descriptor: | CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ... | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | Deposit date: | 2021-12-15 | Release date: | 2022-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate. J.Biol.Chem., 298, 2022
|
|
5MRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mrd by Molmil](/molmil-images/mine/5mrd) | Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M. | Deposit date: | 2016-12-22 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms. ACS Chem. Biol., 12, 2017
|
|
6CGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cgv by Molmil](/molmil-images/mine/6cgv) | Revised crystal structure of human adenovirus | Descriptor: | Hexon protein, Hexon-interlacing protein, Penton protein, ... | Authors: | Natchiar, S.K, Venkataraman, S, Nemerow, G.R, Reddy, V.S. | Deposit date: | 2018-02-21 | Release date: | 2018-04-25 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Revised Crystal Structure of Human Adenovirus Reveals the Limits on Protein IX Quasi-Equivalence and on Analyzing Large Macromolecular Complexes. J. Mol. Biol., 430, 2018
|
|
6VT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vt4 by Molmil](/molmil-images/mine/6vt4) | Naegleria gruberi RNA ligase R149A mutant apo | Descriptor: | RNA Ligase | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | Deposit date: | 2020-02-12 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
|
|
6VTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vte by Molmil](/molmil-images/mine/6vte) | Naegleria gruberi RNA Ligase K170M mutant with AMP and Mn | Descriptor: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA ligase | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | Deposit date: | 2020-02-12 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
|
|
6VT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vt8 by Molmil](/molmil-images/mine/6vt8) | Naegleria gruberi RNA ligase E312A mutant with AMP and Mn | Descriptor: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA Ligase | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | Deposit date: | 2020-02-12 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
|
|
6VT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vt6 by Molmil](/molmil-images/mine/6vt6) | Naegleria gruberi RNA ligase K170A mutant with ATP and Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA Ligase | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | Deposit date: | 2020-02-12 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
|
|
6VTG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vtg by Molmil](/molmil-images/mine/6vtg) | Naegleria gruberi RNA ligase E227A mutant apo | Descriptor: | RNA ligase | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | Deposit date: | 2020-02-12 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
|
|
5LVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lvm by Molmil](/molmil-images/mine/5lvm) | Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
|
|
6VT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vt3 by Molmil](/molmil-images/mine/6vt3) | Naegleria gruberi RNA ligase K326A mutant apo | Descriptor: | RNA Ligase | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | Deposit date: | 2020-02-12 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
|
|
6VTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vtd by Molmil](/molmil-images/mine/6vtd) | Naegleria gruberi RNA ligase R149A mutant with ATP and Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA Ligase | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | Deposit date: | 2020-02-12 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
|
|
6VT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vt5 by Molmil](/molmil-images/mine/6vt5) | |
6VTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vtf by Molmil](/molmil-images/mine/6vtf) | Naegleria gruberi RNA ligase with PPi | Descriptor: | PYROPHOSPHATE 2-, RNA ligase | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | Deposit date: | 2020-02-12 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
|
|
6GD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gd4 by Molmil](/molmil-images/mine/6gd4) | Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188) | Descriptor: | 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-21 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
|
|
6GDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gdp by Molmil](/molmil-images/mine/6gdp) | Trypanosoma brucei PTR1 in complex with inhibitor 4l (F162) | Descriptor: | 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
|
|
5LHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lhs by Molmil](/molmil-images/mine/5lhs) | The ligand free catalytic domain of murine urokinase-type plasminogen activator | Descriptor: | NICKEL (II) ION, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | Deposit date: | 2016-07-12 | Release date: | 2017-06-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.047 Å) | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
|
|
6GEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gex by Molmil](/molmil-images/mine/6gex) | Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246) | Descriptor: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-27 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
|
|
6X1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x1q by Molmil](/molmil-images/mine/6x1q) | 1.8 Angstrom resolution structure of b-galactosidase with a 200 kV cryoARM electron microscope | Descriptor: | Beta-galactosidase, MAGNESIUM ION, SODIUM ION | Authors: | Merk, A, Fukumura, T, Zhu, X, Darling, J, Grisshammer, R, Ognjenovic, J, Subramaniam, S. | Deposit date: | 2020-05-19 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (1.8 Å) | Cite: | 1.8 angstrom resolution structure of beta-galactosidase with a 200 kV CRYO ARM electron microscope. Iucrj, 7, 2020
|
|
6GEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gey by Molmil](/molmil-images/mine/6gey) | Trypanosoma brucei PTR1 in complex with inhibitor 4g (F125) | Descriptor: | 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-27 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
|
|