5DEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dek by Molmil](/molmil-images/mine/5dek) | RNA octamer containing dT | Descriptor: | COBALT HEXAMMINE(III), RNA oligonucleotide containing dT | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2015-08-25 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides. J.Org.Chem., 81, 2016
|
|
5A4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a4t by Molmil](/molmil-images/mine/5a4t) | DYRK1A IN COMPLEX WITH NITRILE BENZOTHIAZOLE FRAGMENT | Descriptor: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, N-(6-CYANO-3H-1,3-BENZOTHIAZOL-2-YLIDENE)ETHANAMIDE | Authors: | Rothweiler, U. | Deposit date: | 2015-06-15 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
|
|
5A3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a3x by Molmil](/molmil-images/mine/5a3x) | DYRK1A in complex with hydroxy benzothiazole fragment | Descriptor: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide | Authors: | Rothweiler, U. | Deposit date: | 2015-06-03 | Release date: | 2016-06-29 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
|
|
5AAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aaq by Molmil](/molmil-images/mine/5aaq) | TBK1 recruitment to cytosol-invading Salmonella induces anti- bacterial autophagy | Descriptor: | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING PROTEIN 2, ZINC ION | Authors: | Thurston, T.L, Allen, M.D, Ravenhill, B, Karpiyevitch, M, Bloor, S, Kaul, A, Matthews, S, Komander, D, Holden, D, Bycroft, M, Randow, F. | Deposit date: | 2015-07-28 | Release date: | 2016-07-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Recruitment of Tbk1 to Cytosol-Invading Salmonella Induces Wipi2-Dependent Antibacterial Autophagy. Embo J., 35, 2016
|
|
5A17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a17 by Molmil](/molmil-images/mine/5a17) | |
7OPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7opk by Molmil](/molmil-images/mine/7opk) | |
5AB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ab3 by Molmil](/molmil-images/mine/5ab3) | S.enterica HisA mutant D7N, D10G, dup13-15, Q24L, G102A | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SODIUM ION, [(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2015-07-31 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5D4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d4u by Molmil](/molmil-images/mine/5d4u) | SAM-bound HcgC from Methanocaldococcus jannaschii | Descriptor: | S-ADENOSYLMETHIONINE, SULFATE ION, Uncharacterized protein MJ0489 | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-08-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5D5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d5o by Molmil](/molmil-images/mine/5d5o) | HcgC from Methanocaldococcus jannaschii | Descriptor: | SULFATE ION, Uncharacterized protein MJ0489 | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-08-11 | Release date: | 2016-07-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5CT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ct2 by Molmil](/molmil-images/mine/5ct2) | The structure of the NK1 fragment of HGF/SF complexed with CAPS | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
|
|
7OWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7owe by Molmil](/molmil-images/mine/7owe) | Odinarchaeota Adenylate kinase (OdinAK) in complex with inhibitor Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Grundstrom, C, Aberg-Zingmark, E, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
|
|
7OWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7owl by Molmil](/molmil-images/mine/7owl) | Odinarchaeota Adenylate kinase (OdinAK) in complex with CTP | Descriptor: | Adenylate kinase, CYTIDINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
|
|
7OWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7owk by Molmil](/molmil-images/mine/7owk) | Odinarchaeota Adenylate kinase (OdinAK) in complex with dTTP | Descriptor: | Adenylate kinase, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
|
|
7OWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7owh by Molmil](/molmil-images/mine/7owh) | Odinarchaeota Adenylate kinase (OdinAK) native structure | Descriptor: | Adenylate kinase, CHLORIDE ION | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
|
|
5D8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d8t by Molmil](/molmil-images/mine/5d8t) | RNA octamer containing (S)-5' methyl, 2'-F U. | Descriptor: | COBALT HEXAMMINE(III), RNA oligonucleotide containing (S)-C5'-Me-2'-FU | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2015-08-17 | Release date: | 2016-06-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides. J.Org.Chem., 81, 2016
|
|
7OWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7owj by Molmil](/molmil-images/mine/7owj) | Odinarchaeota Adenylate kinase (OdinAK) in complex with GTP | Descriptor: | Adenylate kinase, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
|
|
5CS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cs7 by Molmil](/molmil-images/mine/5cs7) | The crystal structure of wt beta2-microglobulin at room temperature | Descriptor: | Beta-2-microglobulin | Authors: | de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S. | Deposit date: | 2015-07-23 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity. Nat Commun, 9, 2018
|
|
5CSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5csf by Molmil](/molmil-images/mine/5csf) | S100B-RSK1 crystal structure A | Descriptor: | CALCIUM ION, Protein S100-B, Ribosomal protein S6 kinase alpha-1 | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY. J.Biol.Chem., 291, 2016
|
|
5D4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d4v by Molmil](/molmil-images/mine/5d4v) | HcgC with SAH and a guanylylpyridinol (GP) derivative | Descriptor: | 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-08-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5D5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d5t by Molmil](/molmil-images/mine/5d5t) | |
5D5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d5n by Molmil](/molmil-images/mine/5d5n) | Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Complex | Descriptor: | Virion egress protein UL31 homolog, Virion egress protein UL34 homolog, ZINC ION | Authors: | Walzer, S.A, Egerer-Sieber, C, Hohl, K, Sevvana, M, Muller, Y.A. | Deposit date: | 2015-08-11 | Release date: | 2015-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Core Nuclear Egress Complex Provides Insight into a Unique Assembly Scaffold for Virus-Host Protein Interactions. J.Biol.Chem., 290, 2015
|
|
5CS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cs3 by Molmil](/molmil-images/mine/5cs3) | The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS | Descriptor: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
|
|
5DCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dch by Molmil](/molmil-images/mine/5dch) | Crystal structure of Pseudomonas aeruginosa DsbA E82I in complex with MIPS-0000851 (3-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-4-AMINE) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, GLYCEROL, ... | Authors: | McMahon, R.M, Martin, J.L. | Deposit date: | 2015-08-24 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.447 Å) | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1. PLoS ONE, 12, 2017
|
|
5BV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bv3 by Molmil](/molmil-images/mine/5bv3) | Yeast Scavenger Decapping Enzyme in complex with m7GDP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, CHLORIDE ION, SULFATE ION, ... | Authors: | Neu, A, Neu, U, Sprangers, R. | Deposit date: | 2015-06-04 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | An excess of catalytically required motions inhibits the scavenger decapping enzyme. Nat.Chem.Biol., 11, 2015
|
|
5AV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5av7 by Molmil](/molmil-images/mine/5av7) | Crystal structure of Calsepa lectin in complex with bisected glycan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]methyl alpha-D-mannopyranoside, Lectin | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2015-06-12 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins Sci Rep, 6, 2016
|
|