7D36
| Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I. | Deposit date: | 2020-09-18 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction. Eur.J.Med.Chem., 216, 2021
|
|
2M3Z
| |
3L5I
| Crystal structure of FnIII domains of human GP130 (Domains 4-6) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta | Authors: | Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E. | Deposit date: | 2009-12-22 | Release date: | 2010-05-12 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes. J.Biol.Chem., 285, 2010
|
|
3L63
| Crystal structure of camphor-bound P450cam at low [K+] | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B. | Deposit date: | 2009-12-22 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | P450cam visits an open conformation in the absence of substrate. Biochemistry, 49, 2010
|
|
3LLT
| Crystal structure of PF14_0431, kinase domain. | Descriptor: | ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Loppnau, P, MacKenzie, F, Sullivan, H, Weadge, J, Kozieradzki, I, Cossar, D, Sinesterra, G, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Hutchinson, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-29 | Release date: | 2010-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of PF14_0431, kinase domain. TO BE PUBLISHED
|
|
2LVZ
| Solution structure of a Eosinophil Cationic Protein-trisaccharide heparin mimetic complex | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Eosinophil cationic protein | Authors: | Garcia Mayoral, M, Canales, A, Diaz, D, Lopez Prados, J, Moussaoui, M, de Paz, J, Angulo, J, Nieto, P, Jimenez Barbero, J, Boix, E, Bruix, M. | Deposit date: | 2012-07-17 | Release date: | 2013-07-31 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Insights into the glycosaminoglycan-mediated cytotoxic mechanism of eosinophil cationic protein revealed by NMR. Acs Chem.Biol., 8, 2013
|
|
3LNF
| |
3LNQ
| Structure of Aristaless homeodomain in complex with DNA | Descriptor: | 5'-D(*CP*CP*CP*TP*AP*AP*TP*TP*AP*AP*AP*CP*CP*C)-3', 5'-D(*GP*GP*GP*TP*TP*TP*AP*AP*TP*TP*AP*GP*GP*G)-3', ACETATE ION, ... | Authors: | Takamura, Y, Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M. | Deposit date: | 2010-02-02 | Release date: | 2010-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless Embo J., 29, 2010
|
|
3LDN
| Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in apo form | Descriptor: | 78 kDa glucose-regulated protein | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | Deposit date: | 2010-01-13 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
|
|
2M70
| |
2LUP
| |
2MGS
| Solution structure of CXCL5 | Descriptor: | C-X-C motif chemokine 5 | Authors: | Sepuru, K, Rajarathnam, K. | Deposit date: | 2013-11-04 | Release date: | 2014-04-02 | Last modified: | 2016-04-27 | Method: | SOLUTION NMR | Cite: | Solution Structure of CXCL5 - A Novel Chemokine and Adipokine Implicated in Inflammation and Obesity. Plos One, 9, 2014
|
|
2LUQ
| |
7DPQ
| HIV-1 Protease D30N mutant | Descriptor: | Protease | Authors: | Bihani, S.C, Hosur, M.V. | Deposit date: | 2020-12-21 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease. J.Biomol.Struct.Dyn., 2021
|
|
3LB2
| Two-site competitive inhibition in dehaloperoxidase-hemoglobin | Descriptor: | 4-BROMOPHENOL, DEHALOPEROXIDASE A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Nicoletti, F.P, Howes, B.D, Smulevich, G. | Deposit date: | 2010-01-07 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function. Biophys.J., 99, 2010
|
|
2LU5
| Structure and chemical shifts of Cu(I),Zn(II) superoxide dismutase by solid-state NMR | Descriptor: | COPPER (II) ION, Superoxide dismutase [Cu-Zn] | Authors: | Knight, M.J, Pell, A.J, Bertini, I, Felli, I.C, Gonnelli, L, Pierattelli, R, Herrmann, T, Emsley, L, Pintacuda, G. | Deposit date: | 2012-06-08 | Release date: | 2012-06-27 | Last modified: | 2023-06-14 | Method: | SOLID-STATE NMR | Cite: | Structure and backbone dynamics of a microcrystalline metalloprotein by solid-state NMR. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3LXI
| Crystal Structure of Camphor-Bound CYP101D1 | Descriptor: | CAMPHOR, Cytochrome P450, PHOSPHATE ION, ... | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-02-25 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444 J.Biol.Chem., 285, 2010
|
|
7DLZ
| Crystal Structure of Methyltransferase Ribozyme | Descriptor: | RNA (45-MER), U1 small nuclear ribonucleoprotein A | Authors: | Gan, J.H, Gao, Y.Q, Jiang, H.Y, Chen, D.R, Murchie, A.I.H. | Deposit date: | 2020-11-30 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | The identification and characterization of a selected SAM-dependent methyltransferase ribozyme that is present in natural sequences Nat Catal, 4, 2021
|
|
3LE2
| Structure of Arabidopsis AtSerpin1. Native Stressed Conformation | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Harrop, S.J, Joss, T.V, Cumi, P.M.G, Roberts, T.H. | Deposit date: | 2010-01-14 | Release date: | 2010-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arabidopsis AtSerpin1, crystal structure and in vivo interaction with its target protease RESPONSIVE TO DESICCATION-21 (RD21). J.Biol.Chem., 285, 2010
|
|
7DOZ
| HIV-1 Protease D30N mutant in complex with Nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | Authors: | Bihani, S.C, Hosur, M.V. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease. J.Biomol.Struct.Dyn., 2021
|
|
2LYM
| |
3L8Z
| H-Ras wildtype new crystal form | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R. | Deposit date: | 2010-01-04 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes Angew.Chem.Int.Ed.Engl., 49, 2010
|
|
2LYO
| CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 90% ACETONITRILE-WATER | Descriptor: | ACETONITRILE, LYSOZYME | Authors: | Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y. | Deposit date: | 1998-03-06 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture. Biochim.Biophys.Acta, 1384, 1998
|
|
3LFC
| Human p38 MAP Kinase in Complex with RL99 | Descriptor: | (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
|
|
2M2N
| |