6OKK
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6OHD
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![BU of 6ohd by Molmil](/molmil-images/mine/6ohd) | P38 in complex with T-3220137 | Descriptor: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2019-04-05 | Release date: | 2019-11-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2. Chemmedchem, 14, 2019
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6OIF
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![BU of 6oif by Molmil](/molmil-images/mine/6oif) | Cryo-EM structure of human TorsinA filament | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Torsin-1A | Authors: | Zheng, W, Demircioglu, F.E, Schwartz, T.U, Egelman, E.H. | Deposit date: | 2019-04-09 | Release date: | 2019-07-24 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | The AAA + ATPase TorsinA polymerizes into hollow helical tubes with 8.5 subunits per turn. Nat Commun, 10, 2019
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5MS4
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![BU of 5ms4 by Molmil](/molmil-images/mine/5ms4) | Kallikrein-related peptidase 8 leupeptin inhibitor complex | Descriptor: | CALCIUM ION, Kallikrein-8, LEUPEPTIN, ... | Authors: | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | Deposit date: | 2016-12-30 | Release date: | 2018-01-17 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin. Sci Rep, 8, 2018
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5NOO
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![BU of 5noo by Molmil](/molmil-images/mine/5noo) | Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W. | Deposit date: | 2017-04-12 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. J. Mol. Graph. Model., 77, 2017
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5MS3
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![BU of 5ms3 by Molmil](/molmil-images/mine/5ms3) | Kallikrein-related peptidase 8 calcium complex | Descriptor: | CALCIUM ION, Kallikrein-8 | Authors: | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | Deposit date: | 2016-12-30 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures To Be Published
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8C3D
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![BU of 8c3d by Molmil](/molmil-images/mine/8c3d) | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | Deposit date: | 2022-12-23 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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5OE5
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5OE6
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5OE3
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![BU of 5oe3 by Molmil](/molmil-images/mine/5oe3) | Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 1) | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, ACETATE ION, ... | Authors: | Witzgall, F, Ewert, W, Blankenfeldt, W. | Deposit date: | 2017-07-07 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis. Chembiochem, 18, 2017
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5OE4
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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5MHD
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5M4Z
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![BU of 5m4z by Molmil](/molmil-images/mine/5m4z) | Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | Descriptor: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | Deposit date: | 2016-10-19 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.179 Å) | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies. Int J Mol Sci, 22, 2021
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9BRQ
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![BU of 9brq by Molmil](/molmil-images/mine/9brq) | Intact V-ATPase State 3 and synaptophysin complex in mouse brain isolated synaptic vesicles | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-11 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9BRY
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![BU of 9bry by Molmil](/molmil-images/mine/9bry) | V0-only V-ATPase in synaptophysin gene knock-out mouse brain isolated synaptic vesicles | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-12 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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8WEX
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9BRR
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![BU of 9brr by Molmil](/molmil-images/mine/9brr) | Intact V-ATPase State 3 in synaptophysin knock-out isolated synaptic vesicles | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-11 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9RNT
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4URD
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![BU of 4urd by Molmil](/molmil-images/mine/4urd) | Cryo-EM map of Trigger Factor bound to a translating ribosome | Descriptor: | TRIGGER FACTOR | Authors: | Deeng, J, Chan, K.Y, van der Sluis, E, Bischoff, L, Berninghausen, O, Han, W, Gumbart, J, Schulten, K, Beatrix, B, Beckmann, R. | Deposit date: | 2014-06-27 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Dynamic Behavior of Trigger Factor on the Ribosome. J.Mol.Biol., 428, 2016
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4V4N
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![BU of 4v4n by Molmil](/molmil-images/mine/4v4n) | Structure of the Methanococcus jannaschii ribosome-SecYEBeta channel complex | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein L7AE, ... | Authors: | Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W. | Deposit date: | 2013-06-17 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Structure of the SecY channel during initiation of protein translocation. Nature, 506, 2013
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9BRA
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![BU of 9bra by Molmil](/molmil-images/mine/9bra) | Intact V-ATPase State 2 and synaptophysin complex in mouse brain isolated synaptic vesicles | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-11 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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4V6E
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![BU of 4v6e by Molmil](/molmil-images/mine/4v6e) | Crystal structure of the E. coli 70S ribosome in an intermediate state of ratcheting | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Zhang, W, Dunkle, J.A, Cate, J.H.D. | Deposit date: | 2009-06-28 | Release date: | 2014-07-09 | Last modified: | 2014-12-10 | Method: | X-RAY DIFFRACTION (3.712 Å) | Cite: | Structures of the ribosome in intermediate States of ratcheting. Science, 325, 2009
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4W7I
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![BU of 4w7i by Molmil](/molmil-images/mine/4w7i) | Crystal structure of DEH reductase A1-R' mutant | Descriptor: | 4-deoxy-L-erythro-5-hexoseulose uronate reductase A1-R' | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-22 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
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9BRT
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![BU of 9brt by Molmil](/molmil-images/mine/9brt) | Intact V-ATPase State 1 and synaptophysin complex in mouse brain isolated synaptic vesicles | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-11 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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