5W91
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![BU of 5w91 by Molmil](/molmil-images/mine/5w91) | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 | Descriptor: | 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 To be published
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5WKK
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![BU of 5wkk by Molmil](/molmil-images/mine/5wkk) | 1.55 A resolution structure of MERS 3CL protease in complex with inhibitor GC813 | Descriptor: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-25 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
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5XEV
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![BU of 5xev by Molmil](/molmil-images/mine/5xev) | Crystal Structure of a novel Xaa-Pro dipeptidase from Deinococcus radiodurans | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Are, V.N, Kumar, A, Ghosh, B, Makde, R.D. | Deposit date: | 2017-04-06 | Release date: | 2017-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a novel prolidase from Deinococcus radiodurans identifies new subfamily of bacterial prolidases. Proteins, 85, 2017
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5XPT
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![BU of 5xpt by Molmil](/molmil-images/mine/5xpt) | |
4Z9R
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![BU of 4z9r by Molmil](/molmil-images/mine/4z9r) | |
4ZA0
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![BU of 4za0 by Molmil](/molmil-images/mine/4za0) | Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate | Descriptor: | Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID | Authors: | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | Deposit date: | 2015-04-13 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | SF2312 is a natural phosphonate inhibitor of enolase. Nat.Chem.Biol., 12, 2016
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4ZCU
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![BU of 4zcu by Molmil](/molmil-images/mine/4zcu) | Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P2 form | Descriptor: | CALCIUM ION, Calcium-binding mitochondrial carrier protein SCaMC-1, GLYCEROL, ... | Authors: | Harborne, S.P.D, Ruprecht, J.J, Kunji, E.R.S. | Deposit date: | 2015-04-16 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Calcium-induced conformational changes in the regulatory domain of the human mitochondrial ATP-Mg/Pi carrier. Biochim.Biophys.Acta, 1847, 2015
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4ZE0
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![BU of 4ze0 by Molmil](/molmil-images/mine/4ze0) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-04-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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5XUT
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![BU of 5xut by Molmil](/molmil-images/mine/5xut) | Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TCTA PAM) | Descriptor: | 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*CP*TP*A)-3'), ... | Authors: | Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2017-06-26 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1. Mol. Cell, 67, 2017
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4ZDZ
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![BU of 4zdz by Molmil](/molmil-images/mine/4zdz) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-04-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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4ZFK
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![BU of 4zfk by Molmil](/molmil-images/mine/4zfk) | Ergothioneine-biosynthetic Ntn hydrolase EgtC with glutamine | Descriptor: | 1,2-ETHANEDIOL, Amidohydrolase EgtC, GLUTAMINE | Authors: | Vit, A, Seebeck, F.P, Blankenfeldt, W. | Deposit date: | 2015-04-21 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC. Chembiochem, 16, 2015
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4ZF7
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![BU of 4zf7 by Molmil](/molmil-images/mine/4zf7) | Crystal structure of ferret interleukin-2 | Descriptor: | DI(HYDROXYETHYL)ETHER, Interleukin 2, PENTAETHYLENE GLYCOL, ... | Authors: | Ren, B, Newman, J, McKinstry, W.J, Adams, T.E. | Deposit date: | 2015-04-21 | Release date: | 2015-11-04 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Structural and functional characterisation of ferret interleukin-2. Dev.Comp.Immunol., 55, 2015
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5XQY
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5X67
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![BU of 5x67 by Molmil](/molmil-images/mine/5x67) | Human thymidylate synthase in complex with dUMP and nolatrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states. J. Biol. Chem., 292, 2017
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4Z19
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4Z1M
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![BU of 4z1m by Molmil](/molmil-images/mine/4z1m) | Bovine F1-ATPase inhibited by three copies of the inhibitor protein IF1 crystallised in the presence of thiophosphate. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... | Authors: | Bason, J.V, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | How release of phosphate from mammalian F1-ATPase generates a rotary substep. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZPL
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![BU of 4zpl by Molmil](/molmil-images/mine/4zpl) | Crystal Structure of Protocadherin Beta 1 EC1-3 | Descriptor: | CALCIUM ION, Protein Pcdhb1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Goodman, K.M, Bahna, F, Shapiro, L. | Deposit date: | 2015-05-08 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions. Cell, 163, 2015
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5X8C
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![BU of 5x8c by Molmil](/molmil-images/mine/5x8c) | AMPPCP and TMP bound crystal structure of thymidylate kinase from thermus thermophilus HB8 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | Deposit date: | 2017-03-02 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase. Acta Crystallogr D Struct Biol, 74, 2018
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4ZRE
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![BU of 4zre by Molmil](/molmil-images/mine/4zre) | Crystal structure of SMG1 F278D mutant | Descriptor: | CHLORIDE ION, LIP1, secretory lipase (Family 3), ... | Authors: | Xu, J, Xu, H, Hou, S, Liu, J. | Deposit date: | 2015-05-12 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of product-bound SMG1 lipase: active site gating implications. Febs J., 282, 2015
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5XAZ
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4Z5Y
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5XHO
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![BU of 5xho by Molmil](/molmil-images/mine/5xho) | Crystal structure of Frog M-ferritin E135K mutant | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | Authors: | Jagdev, M.K, Vasudevan, D. | Deposit date: | 2017-04-21 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104 Biochim. Biophys. Acta, 1865, 2017
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4Z67
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4Z81
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4ZAU
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![BU of 4zau by Molmil](/molmil-images/mine/4zau) | AZD9291 complex with wild type EGFR | Descriptor: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | Authors: | Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M. | Deposit date: | 2015-04-14 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed. J.Struct.Biol., 192, 2015
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