5LOH
| Kinase domain of human Greatwall | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, STAUROSPORINE, ... | Authors: | Rajasekaran, M.B, Pearl, L.H, Oliver, A.W. | Deposit date: | 2016-08-09 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A first generation inhibitor of human Greatwall kinase, enabled by structural and functional characterisation of a minimal kinase domain construct. Oncotarget, 7, 2016
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5LPE
| Kallikrein-related peptidase 10 complex with Zn2+ | Descriptor: | Kallikrein-10, SULFATE ION, ZINC ION | Authors: | Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H. | Deposit date: | 2016-08-12 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10. Biol.Chem., 397, 2016
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5LPF
| Kallikrein-related peptidase 10 | Descriptor: | Kallikrein-10, SULFATE ION | Authors: | Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H. | Deposit date: | 2016-08-12 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10. Biol.Chem., 397, 2016
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5GNM
| Cytochrome P450 Vdh (CYP107BR1) L348M mutant | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase | Authors: | Yasutake, Y, Tamura, T. | Deposit date: | 2016-07-22 | Release date: | 2017-05-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site Acta Crystallogr F Struct Biol Commun, 73, 2017
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5LSO
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5LVH
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5LVL
| Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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5I3Y
| Crystal structure of BACE1 in complex with aminoquinoline inhibitor 9 | Descriptor: | Beta-secretase 1, N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2016-02-11 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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5I3W
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5I4Y
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5M0C
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5M0L
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8TWU
| Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro | Descriptor: | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450 AspB, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gering, H.E, Li, X, Tang, H, Swartz, P.D, Chang, W.-C, Makris, T.M. | Deposit date: | 2023-08-21 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A Ferric-Superoxide Intermediate Initiates P450-Catalyzed Cyclic Dipeptide Dimerization. J.Am.Chem.Soc., 145, 2023
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5IBE
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5J07
| Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P1/2 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-27 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5J0C
| Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5IBI
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8U2O
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5J1V
| Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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5IC5
| Bacteriophytochrome response regulator RtBRR | Descriptor: | CACODYLATE ION, Candidate response regulator, CheY, ... | Authors: | Baker, A.W, Satyshur, K.A, Forest, K.T. | Deposit date: | 2016-02-22 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Arm-in-Arm Response Regulator Dimers Promote Intermolecular Signal Transduction. J.Bacteriol., 198, 2016
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5J2S
| NKR-P1B from Rattus norvegicus | Descriptor: | Killer cell lectin-like receptor subfamily B member 1B allele A, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Skalova, T, Vanek, O, Blaha, J, Duskova, J, Hasek, J, Koval, T, Dohnalek, J. | Deposit date: | 2016-03-30 | Release date: | 2017-10-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of NKR-P1B from Rattus norvegicus To Be Published
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5JKW
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5JLC
| Structure of CYP51 from the pathogen Candida glabrata | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2016-04-26 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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5IE1
| Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | Deposit date: | 2016-02-24 | Release date: | 2016-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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5IH6
| Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A derivative | Descriptor: | 6-(3-bromophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ... | Authors: | Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H. | Deposit date: | 2016-02-29 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1. Cell Chem Biol, 23, 2016
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