5WOT
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6L04
| Crystal structure of uPA_H99Y in complex with 31F | Descriptor: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | Deposit date: | 2019-09-26 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of uPA_H99Y in complex with 31F To Be Published
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6XVM
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8JF4
| The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A | Authors: | Zhu, C.J. | Deposit date: | 2023-05-17 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.89288354 Å) | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
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6XW0
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6XW9
| Human myelin protein P2 mutant K120S | Descriptor: | CHLORIDE ION, Myelin P2 protein, PALMITIC ACID | Authors: | Ruskamo, S, Lehtimaki, M, Kursula, P. | Deposit date: | 2020-01-23 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice. J.Biol.Chem., 295, 2020
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6L13
| Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6LJX
| Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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8DZ7
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6I7U
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6LAS
| the wildtype SAM-VI riboswitch bound to SAM | Descriptor: | RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A | Authors: | Ren, A, Sun, A. | Deposit date: | 2019-11-13 | Release date: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.708 Å) | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination. Nat Commun, 10, 2019
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6XVN
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5WZM
| Crystal structure of human secreted phospholipase A2 group IIE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
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6L5V
| Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L69
| Crystal structure of CYP154C2 from Streptomyces avermitilis | Descriptor: | Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, L.H, Fushinobu, S. | Deposit date: | 2019-10-28 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Regio- and stereoselective hydroxylation of testosterone by a novel cytochrome P450 154C2 from Streptomyces avermitilis. Biochem.Biophys.Res.Commun., 522, 2020
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8IVL
| FABP7 complexed with Cholesterol | Descriptor: | CHOLESTEROL, Fatty acid-binding protein, brain | Authors: | Wei, P.C, Zhao, K, Yin, L. | Deposit date: | 2023-03-28 | Release date: | 2024-02-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fatty acid-binding proteins 3, 7, and 8 bind cholesterol and facilitate its egress from lysosomes. J.Cell Biol., 223, 2024
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8IVF
| FABP7 complexed with 25-HC | Descriptor: | 25-HYDROXYCHOLESTEROL, Fatty acid-binding protein, brain | Authors: | Wei, P.C, Zhao, K, Yin, L. | Deposit date: | 2023-03-27 | Release date: | 2024-02-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fatty acid-binding proteins 3, 7, and 8 bind cholesterol and facilitate its egress from lysosomes. J.Cell Biol., 223, 2024
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5WZS
| Crystal structure of human secreted phospholipase A2 group IIE with Compound 8 | Descriptor: | 2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
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6XZ8
| Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | Descriptor: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | Authors: | Kuglstatter, A, Joseph, C, Benz, J. | Deposit date: | 2020-02-03 | Release date: | 2020-06-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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5X18
| Crystal structure of Casein kinase I homolog 1 | Descriptor: | Casein kinase I homolog 1, GLYCEROL, MALONIC ACID | Authors: | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock Mol. Cell, 67, 2017
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8E52
| MicroED structure of proteinase K recorded on K2 | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. | Deposit date: | 2022-08-19 | Release date: | 2022-09-21 | Last modified: | 2022-10-19 | Method: | ELECTRON CRYSTALLOGRAPHY (2.8 Å) | Cite: | Electron-counting MicroED data with the K2 and K3 direct electron detectors. J.Struct.Biol., 214, 2022
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5X1T
| PpkA-294 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PpkA-294 | Authors: | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | Deposit date: | 2017-01-26 | Release date: | 2018-01-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism. Biochem.J., 475, 2018
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5WZV
| Crystal structure of human secreted phospholipase A2 group IIE with Me-indoxam | Descriptor: | 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
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8E53
| MicroED structure of proteinase K recorded on K3 | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. | Deposit date: | 2022-08-19 | Release date: | 2022-09-21 | Last modified: | 2022-10-19 | Method: | ELECTRON CRYSTALLOGRAPHY (1.7 Å) | Cite: | Electron-counting MicroED data with the K2 and K3 direct electron detectors. J.Struct.Biol., 214, 2022
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6II1
| Crystal Structure Analysis of CO form hemoglobin from Bos taurus | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T. | Deposit date: | 2018-10-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster. J Phys Chem B, 122, 2018
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