8CTU
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![BU of 8ctu by Molmil](/molmil-images/mine/8ctu) | Crystal structure of a K+ selective NaK mutant (NaK2K) at Room temperature | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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7AAB
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![BU of 7aab by Molmil](/molmil-images/mine/7aab) | Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | Deposit date: | 2020-09-04 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49, 2021
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8D78
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5NAP
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![BU of 5nap by Molmil](/molmil-images/mine/5nap) | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 | Descriptor: | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | Deposit date: | 2017-02-28 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues. J Enzyme Inhib Med Chem, 33, 2018
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7ACA
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![BU of 7aca by Molmil](/molmil-images/mine/7aca) | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Kessler, D. | Deposit date: | 2020-09-10 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 To Be Published
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7A4V
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5NA4
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![BU of 5na4 by Molmil](/molmil-images/mine/5na4) | NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878 | Authors: | Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M. | Deposit date: | 2017-02-27 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus. Biochim. Biophys. Acta, 1858, 2017
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8DE3
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![BU of 8de3 by Molmil](/molmil-images/mine/8de3) | |
8D79
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![BU of 8d79 by Molmil](/molmil-images/mine/8d79) | Crystal structure of a four-tetrad, parallel, and Na+ stabilized Tetrahymena thermophila telomeric G-quadruplex in complex with N-methyl mesoporphyrin IX | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), N-METHYLMESOPORPHYRIN, ... | Authors: | Chen, E.V, Beseiso, D, Yatsunyk, L.A. | Deposit date: | 2022-06-07 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Biophysical and structural characterization of telomeric G-quadruplexes from Tetrahymena thermophila in complex with N-Methyl Mesoporphyrin IX To Be Published
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5NBY
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![BU of 5nby by Molmil](/molmil-images/mine/5nby) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2017-03-02 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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3UIP
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![BU of 3uip by Molmil](/molmil-images/mine/3uip) | Complex between human RanGAP1-SUMO1, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II | Descriptor: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | Authors: | Gareau, J.R, Reverter, D, Lima, C.D. | Deposit date: | 2011-11-05 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2. J.Biol.Chem., 287, 2012
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8CU1
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![BU of 8cu1 by Molmil](/molmil-images/mine/8cu1) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 500ns, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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5NRG
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![BU of 5nrg by Molmil](/molmil-images/mine/5nrg) | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with RB02 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M. | Deposit date: | 2017-04-23 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.442 Å) | Cite: | Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus. Nucleic Acids Res., 45, 2017
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8CU3
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![BU of 8cu3 by Molmil](/molmil-images/mine/8cu3) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 200ns, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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7BUP
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8CU2
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![BU of 8cu2 by Molmil](/molmil-images/mine/8cu2) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 100ns, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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8CU4
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![BU of 8cu4 by Molmil](/molmil-images/mine/8cu4) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 1us, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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7BCM
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![BU of 7bcm by Molmil](/molmil-images/mine/7bcm) | The DDR1 Kinase Domain Bound To SR302 | Descriptor: | Epithelial discoidin domain-containing receptor 1, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Roehm, S, Joerger, A, Knapp, S. | Deposit date: | 2020-12-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
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7BDZ
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![BU of 7bdz by Molmil](/molmil-images/mine/7bdz) | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (1) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BEC
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![BU of 7bec by Molmil](/molmil-images/mine/7bec) | Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (5) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Ferraro, G, Merlino, A. | Deposit date: | 2020-12-23 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BEB
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![BU of 7beb by Molmil](/molmil-images/mine/7beb) | Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (4) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Ferraro, G, Merlino, A. | Deposit date: | 2020-12-23 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BE2
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![BU of 7be2 by Molmil](/molmil-images/mine/7be2) | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (6) | Descriptor: | ACETATE ION, GLYCEROL, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BE1
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![BU of 7be1 by Molmil](/molmil-images/mine/7be1) | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (3) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BE0
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![BU of 7be0 by Molmil](/molmil-images/mine/7be0) | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (2) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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8CRD
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![BU of 8crd by Molmil](/molmil-images/mine/8crd) | |