4QMZ
 
 | | MST3 IN COMPLEX WITH SUNITINIB | | Descriptor: | CHLORIDE ION, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SERINE/THREONINE-PROTEIN KINASE 24 | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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6BMG
 | | Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) | | Descriptor: | ACETATE ION, CADMIUM ION, Myoglobin, ... | | Authors: | Samuel, P.P, Miller, M.D, Xu, W, Alvarado, S, Phillips Jr, G.N, Olson, J.S. | | Deposit date: | 2017-11-14 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
To Be Published
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4QN7
 | | Crystal structure of neuramnidase N7 complexed with Oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F. | | Deposit date: | 2014-06-17 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
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6F26
 | | Crystal structure of human Casein Kinase I delta in complex with compound 31b | | Descriptor: | (9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION | | Authors: | Pichlo, C, Brunstein, E, Baumann, U. | | Deposit date: | 2017-11-23 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
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6MEW
 | | RFXANK ankyrin repeats in complex with a RFX7 peptide | | Descriptor: | DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-09-07 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | RFXANK ankyrin repeats in complex with a RFX7 peptide
to be published
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4QJ8
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5XKV
 | | structure of sperm whale myoglobin F138W | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yuan, H. | | Deposit date: | 2017-05-09 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational design of artificial dye-decolorizing peroxidases using myoglobin by engineering Tyr/Trp in the heme center
Dalton Trans, 46, 2017
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5XL0
 | | met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain | | Descriptor: | Myoglobin, SULFATE ION, fluorinated heme | | Authors: | Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y. | | Deposit date: | 2017-05-10 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor
Biochemistry, 56, 2017
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7E17
 | | Structure of dimeric uPAR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor | | Authors: | Cai, Y, Huang, M. | | Deposit date: | 2021-02-01 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
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7E7F
 | | Human CYP11B1 mutant in complex with metyrapone | | Descriptor: | CHOLIC ACID, Cytochrome P450 11B1, mitochondrial, ... | | Authors: | Mukai, K, Sugimoto, H, Reiko, S, Matsuura, T, Hishiki, T, Kagawa, N. | | Deposit date: | 2021-02-26 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis.
Curr Res Struct Biol, 3, 2021
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6EYE
 | | Crystal structure of murine neuroglobin under 150 bar krypton | | Descriptor: | KRYPTON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | | Deposit date: | 2017-11-12 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
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6F7B
 | | Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032 | | Descriptor: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1 | | Authors: | Holton, S.J, Siemeister, G, Mengel, A, Bone, W, Schroeder, J, Zitzmann-Kolbe, S, Briem, H, Fernandez-Montalvan, A, Prechtl, S, Moenning, U, von Ahsen, O, Johanssen, J, Cleve, A, Puetter, V, Hitchcock, M, von Nussbaum, F, Brands, M, Mumberg, D, Ziegelbauer, K. | | Deposit date: | 2017-12-08 | | Release date: | 2018-12-19 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo.
Clin.Cancer Res., 25, 2019
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4OS4
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 1) | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2014-02-12 | | Release date: | 2014-09-24 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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6LY4
 | | The crystal structure of the BM3 mutant LG-23 in complex with testosterone | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ... | | Authors: | Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T. | | Deposit date: | 2020-02-13 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6BQP
 | | Crystal Structure of the Human CAMKK2B in complex with Crenolanib | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, Calcium/calmodulin-dependent protein kinase kinase 2 | | Authors: | Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-28 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Human CAMKK2B in complex with Crenolanib
To Be Published
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5X2T
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4OT4
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6LYT
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6LYX
 | | Crystal structure of oxidized ACHT1 | | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ... | | Authors: | Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M. | | Deposit date: | 2020-02-16 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
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6BJ5
 | | Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1) | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mahon, B.P, Lomelino, C.L, McKenna, R. | | Deposit date: | 2017-11-05 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1)
To Be Published
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6BKV
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6F1L
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4OWB
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4OWH
 | | PtBr6 binding to HEWL | | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | | Deposit date: | 2014-02-02 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.484 Å) | | Cite: | The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
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6AG7
 | | The crystal structure of uPA in complex with HMA-55F | | Descriptor: | 3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | Authors: | Buckley, B, Jiang, L.G, Majed, H, Huang, M.D, Kelso, M, Ranson, M. | | Deposit date: | 2018-08-09 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | uPA-HMA
To Be Published
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