4OIK
| (Quasi-)Racemic X-ray crystal structure of glycosylated chemokine Ser-CCL1. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1, CITRIC ACID, ... | Authors: | Okamoto, R, Mandal, K, Sawaya, M.R, Kajihara, Y, Yeates, T.O, Kent, S.B.H. | Deposit date: | 2014-01-19 | Release date: | 2014-05-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | (Quasi-)Racemic X-ray Structures of Glycosylated and Non-Glycosylated Forms of the Chemokine Ser-CCL1 Prepared by Total Chemical Synthesis. Angew.Chem.Int.Ed.Engl., 53, 2014
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7N6F
| Co-complex CYP46A1 with compound 3f | Descriptor: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ... | Authors: | Lane, W, Gay, S.C. | Deposit date: | 2021-06-08 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H) Eur.J.Med.Chem., 240, 2022
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6GI6
| Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core. | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ... | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. J. Med. Chem., 61, 2018
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7E73
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6GIH
| Crystal Structure of CK2alpha with CAM187 bound | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | Authors: | Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2018-05-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface. Bioorg. Med. Chem., 26, 2018
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4OML
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7E75
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4OO5
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6GJO
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6GJ5
| CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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6GK5
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6GN9
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4ORW
| Three-dimensional structure of the C65A-K59A double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | Descriptor: | Prostaglandin-H2 D-isomerase | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | Deposit date: | 2014-02-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.664 Å) | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
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4OS8
| Three-dimensional structure of the C65A-W54F-W112F triple mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | Descriptor: | Prostaglandin-H2 D-isomerase | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | Deposit date: | 2014-02-12 | Release date: | 2014-08-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
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4MTH
| Crystal structure of mature human RegIIIalpha | Descriptor: | Regenerating islet-derived protein 3-alpha 15 kDa form, ZINC ION | Authors: | Derebe, M.G. | Deposit date: | 2013-09-19 | Release date: | 2013-11-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Antibacterial membrane attack by a pore-forming intestinal C-type lectin. Nature, 505, 2013
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4MQK
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4MWU
| Anhui N9-laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | Deposit date: | 2013-09-25 | Release date: | 2013-11-20 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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7EGO
| X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe HA527 | Descriptor: | 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid, Fatty acid-binding protein, heart, ... | Authors: | Takabayashi, M, Yokota, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Sugiyama, S. | Deposit date: | 2021-03-24 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe HA527 To Be Published
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4MXL
| X-ray structure of ZnPFeBMb1 | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN | Authors: | Chakraborty, S, Lu, Y, Petrik, I. | Deposit date: | 2013-09-26 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MYG
| MAPK13, active form | Descriptor: | Mitogen-activated protein kinase 13 | Authors: | Yurtsever, Z, Brett, T.J, Scheaffer, S.M. | Deposit date: | 2013-09-27 | Release date: | 2015-03-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | The crystal structure of phosphorylated MAPK13 reveals common structural features and differences in p38 MAPK family activation. Acta Crystallogr.,Sect.D, 71, 2015
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7EHX
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4N00
| Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS | Descriptor: | (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-09-30 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 7-tetrahydropyran-2-yl chromans: beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid beta-protein (A beta ) in the central nervous system. J.Med.Chem., 57, 2014
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7EJV
| The co-crystal structure of DYRK2 with YK-2-69 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | Authors: | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | Deposit date: | 2021-04-02 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer. Nat Commun, 13, 2022
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4N1C
| Structural evidence for antigen receptor evolution | Descriptor: | Lysozyme C, immunoglobulin variable light chain domain | Authors: | Langley, D.B, Rouet, R, Roome, B, Stock, D, Christ, D. | Deposit date: | 2013-10-03 | Release date: | 2014-10-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural reconstruction of protein ancestry. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4MWY
| Shanghai N9-laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | Deposit date: | 2013-09-25 | Release date: | 2013-11-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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