4NUM
 
 | | Crystal structure of mouse N-cadherin EC1-2 A78SI92M | | Descriptor: | CALCIUM ION, Cadherin-2 | | Authors: | Jin, X. | | Deposit date: | 2013-12-03 | | Release date: | 2014-09-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4XRY
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Johnson, E.F, Fan, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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4XW6
 | | X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | Deposit date: | 2015-01-28 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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6E03
 | | sperm whale myoglobin nitrosoethane adduct | | Descriptor: | CHLORIDE ION, Myoglobin, NITROSOETHANE, ... | | Authors: | Herrera, V.E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
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4OMO
 | | Crystal structure of the c-Src tyrosine kinase SH3 domain mutant Q128E | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Camara-Artigas, A, Bacarizo, J. | | Deposit date: | 2014-01-27 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
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7QNN
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Authors: | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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4XCR
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M. | | Deposit date: | 2014-12-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.602 Å) | | Cite: | Thermodynamics of protein destabilization in live cells.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4OV2
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7QR2
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7QOX
 | | Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | | Deposit date: | 2021-12-29 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
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7QRA
 | | Crystal structure of CK1 delta in complex with VN725 | | Descriptor: | 1,2-ETHANEDIOL, 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta, ... | | Authors: | Chaikuad, A, Nemec, V, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-01-10 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4Y35
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4OQS
 | | Crystal structure of CYP105AS1 | | Descriptor: | CYP105AS1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leys, D. | | Deposit date: | 2014-02-10 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4OW8
 | | Crystal structure of kinase domain of PknA from Mtb | | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PknA | | Authors: | Ravala, S.K, Singh, S, Yadav, G.S, Karthikeyan, S, Chakraborti, P.K. | | Deposit date: | 2014-01-31 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Evidence that phosphorylation of threonine in the GT motif triggers activation of PknA, a eukaryotic-type serine/threonine kinase from Mycobacterium tuberculosis.
Febs J., 282, 2015
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4OS3
 | | Three-dimensional structure of the C65A-W112F 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: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (1.4 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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4OY9
 | | Crystal structure of human P-Cadherin EC1-EC2 in closed conformation | | Descriptor: | CALCIUM ION, Cadherin-3 | | Authors: | Dalle Vedove, A, Lucarelli, A.P, Nardone, V, Matino, A, Parisini, E. | | Deposit date: | 2014-02-11 | | Release date: | 2015-04-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The X-ray structure of human P-cadherin EC1-EC2 in a closed conformation provides insight into the type I cadherin dimerization pathway.
Acta Crystallogr.,Sect.F, 71, 2015
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7QTZ
 | | Crystal structure of Iripin-1 serpin from tick Ixodes ricinus | | Descriptor: | MAGNESIUM ION, Putative salivary serpin | | Authors: | Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T. | | Deposit date: | 2022-01-17 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Iripin-1, a new anti-inflammatory tick serpin, inhibits leukocyte recruitment in vivo while altering the levels of chemokines and adhesion molecules.
Front Immunol, 14, 2023
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7QOT
 | | Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa heavy chain, Kininogen-1 light chain, ... | | Authors: | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | | Deposit date: | 2021-12-28 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
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4XDX
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6RYI
 | | WUS-HD bound to G-Box DNA | | Descriptor: | DNA (5'-D(P*CP*CP*CP*AP*TP*CP*AP*CP*GP*TP*GP*AP*CP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*TP*CP*AP*CP*GP*TP*GP*AP*TP*GP*GP*G)-3'), Protein WUSCHEL | | Authors: | Sloan, J.J, Wild, K, Sinning, I. | | Deposit date: | 2019-06-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.691 Å) | | Cite: | Structural basis for the complex DNA binding behavior of the plant stem cell regulator WUSCHEL.
Nat Commun, 11, 2020
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6RYT
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6S0L
 | | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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4XJF
 | | X-ray structure of Lysozyme B1 | | Descriptor: | BROMIDE ION, Lysozyme C, SODIUM ION | | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-06-03 | | Last modified: | 2015-06-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
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7QU4
 | | Recombinant Human Fetal Hemoglobin mutant - alpha subunit mutations K11E,K56E,N78D,K90E | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit gamma-2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kettisen, K, Nyblom, M, Bulow, L. | | Deposit date: | 2022-01-17 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural and oxidative investigation of a recombinant high-yielding fetal hemoglobin mutant.
Front Mol Biosci, 10, 2023
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7QQ7
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