6EOX
| Crystal structure of MMP12 in complex with carboxylic inhibitor LP165. | Descriptor: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-10-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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5TKS
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5TJL
| Crystal structure of GTA + A trisaccharide (mercury derivative) | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | Deposit date: | 2016-10-04 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release. Glycobiology, 27, 2017
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5TJO
| Crystal structure of GTB + B trisaccharide (mercury derivative) | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | Deposit date: | 2016-10-04 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release. Glycobiology, 27, 2017
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5TKU
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5MHP
| Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | Descriptor: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | Deposit date: | 2016-11-25 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis. J. Med. Chem., 60, 2017
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5M7C
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5MX6
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6F52
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6F4W
| Crystal structure of H. pylori purine nucleoside phosphorylase in complex with formycin A | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Purine nucleoside phosphorylase DeoD-type | Authors: | Stefanic, Z. | Deposit date: | 2017-11-30 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Helicobacter pylori purine nucleoside phosphorylase shows new distribution patterns of open and closed active site conformations and unusual biochemical features. FEBS J., 285, 2018
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6F5I
| Crystal structure of H. pylori purine nucleoside phosphorylase | Descriptor: | METHANOL, Purine nucleoside phosphorylase DeoD-type | Authors: | Stefanic, Z. | Deposit date: | 2017-12-01 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Helicobacter pylori purine nucleoside phosphorylase shows new distribution patterns of open and closed active site conformations and unusual biochemical features. FEBS J., 285, 2018
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5UDI
| IFIT1 monomeric mutant (L457E/L464E) with m7Gppp-AAAA (syn and anti conformations of cap) | Descriptor: | CALCIUM ION, Interferon-induced protein with tetratricopeptide repeats 1, RNA (5'-D(*(GTA))-R(P*AP*AP*A)-3'), ... | Authors: | Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B. | Deposit date: | 2016-12-27 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2'-O methylations. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5M7B
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5UDJ
| IFIT1 monomeric mutant (L457E/L464E) with Gppp-AAAA | Descriptor: | CALCIUM ION, Interferon-induced protein with tetratricopeptide repeats 1, RNA (5'-D(*(G3A))-R(P*AP*AP*A)-3'), ... | Authors: | Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B. | Deposit date: | 2016-12-27 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2'-O methylations. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5MX4
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5MX8
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6F5A
| Crystal structure of H. pylori purine nucleoside phosphorylase | Descriptor: | Purine nucleoside phosphorylase DeoD-type | Authors: | Stefanic, Z. | Deposit date: | 2017-12-01 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Helicobacter pylori purine nucleoside phosphorylase shows new distribution patterns of open and closed active site conformations and unusual biochemical features. FEBS J., 285, 2018
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6F4X
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5UDL
| IFIT1 N216A monomeric mutant (L457E/L464E) with m7Gppp-AAAA (anti conformation of cap) | Descriptor: | CALCIUM ION, Interferon-induced protein with tetratricopeptide repeats 1, RNA (5'-D(*(GTA))-R(P*AP*AP*A)-3'), ... | Authors: | Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B. | Deposit date: | 2016-12-27 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2'-O methylations. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UG7
| Calcium bound Perforin C2 Domain - T431D | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | Deposit date: | 2017-01-07 | Release date: | 2018-02-07 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin. Cell Death Differ., 25, 2018
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5UKG
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5M79
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5UMY
| Crystal structure of TnmS3 in complex with tiancimycin | Descriptor: | (1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione, Glyoxalase/bleomycin resisance protein/dioxygenase | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2017-01-29 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration. Cell Chem Biol, 25, 2018
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5UN6
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4J3W
| Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltohexasaccharide | Descriptor: | CALCIUM ION, IODIDE ION, Limit dextrinase, ... | Authors: | Sim, L, Windahl, M.S, Moeller, M.S, Henriksen, A. | Deposit date: | 2013-02-06 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase J.Mol.Biol., 427, 2015
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