6QGO
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![BU of 6qgo by Molmil](/molmil-images/mine/6qgo) | Crystal structure of APT1 S119A mutant bound to palmitic acid. | Descriptor: | Acyl-protein thioesterase 1, PALMITIC ACID | Authors: | Audagnotto, M, Marcaida, M.J, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M. | Deposit date: | 2019-01-12 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains. Nat.Chem.Biol., 2021
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6QF5
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![BU of 6qf5 by Molmil](/molmil-images/mine/6qf5) | X-Ray structure of human Aquaporin 2 crystallized on a silicon chip | Descriptor: | Aquaporin-2, CADMIUM ION | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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5KT6
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![BU of 5kt6 by Molmil](/molmil-images/mine/5kt6) | Teranry complex of human DNA polymerase iota(1-445) inserting dCMPNPP opposite template G in the presence of Mg2+ | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(P*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), ... | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.54 Å) | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota. J.Biol.Chem., 291, 2016
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6GRZ
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![BU of 6grz by Molmil](/molmil-images/mine/6grz) | |
6ZVO
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![BU of 6zvo by Molmil](/molmil-images/mine/6zvo) | Crystal structure of unliganded MLKL executioner domain | Descriptor: | BROMIDE ION, CHLORIDE ION, Mixed lineage kinase domain-like protein | Authors: | Fiegen, D, Bauer, M, Nar, H. | Deposit date: | 2020-07-27 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6TNB
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![BU of 6tnb by Molmil](/molmil-images/mine/6tnb) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6QGN
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![BU of 6qgn by Molmil](/molmil-images/mine/6qgn) | Crystal structure of APT1 bound to 2-Bromopalmitate | Descriptor: | 2-Bromopalmitic acid, Acyl-protein thioesterase 1 | Authors: | Marcaida, M.J, Audagnotto, M, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M. | Deposit date: | 2019-01-12 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains. Nat.Chem.Biol., 2021
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8CXP
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![BU of 8cxp by Molmil](/molmil-images/mine/8cxp) | Characterisation of a Seneca Valley Virus Thermostable Mutant | Descriptor: | Capsid protein VP1, Capsid protein VP3, VP2, ... | Authors: | Jayawardena, N, Bostina, M, Strauss, M. | Deposit date: | 2022-05-22 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Characterisation of a Seneca Valley virus thermostable mutant. Virology, 575, 2022
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5KJ7
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![BU of 5kj7 by Molmil](/molmil-images/mine/5kj7) | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from XFEL diffraction | Descriptor: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | Authors: | Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T. | Deposit date: | 2016-06-17 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex. Elife, 5, 2016
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5XLV
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![BU of 5xlv by Molmil](/molmil-images/mine/5xlv) | Mycobacterium tuberculosis Pantothenate kinase mutant F254A | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ... | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase Acta Crystallogr F Struct Biol Commun, 73, 2017
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4TTY
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6YBQ
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![BU of 6ybq by Molmil](/molmil-images/mine/6ybq) | Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | Authors: | Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J. | Deposit date: | 2020-03-17 | Release date: | 2020-10-28 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (1.96 Å) | Cite: | A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation Nat Catal, 2021
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4F4P
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![BU of 4f4p by Molmil](/molmil-images/mine/4f4p) | SYK in COMPLEX WITH LIGAND LASW836 | Descriptor: | N-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine, SULFATE ION, Tyrosine-protein kinase SYK | Authors: | Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P. | Deposit date: | 2012-05-11 | Release date: | 2012-12-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Highly potent aminopyridines as Syk kinase inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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5XFE
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![BU of 5xfe by Molmil](/molmil-images/mine/5xfe) | Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography IUCrJ, 4, 2017
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5NJJ
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![BU of 5njj by Molmil](/molmil-images/mine/5njj) | PTB domain of human Numb isoform-1 | Descriptor: | ALA-TYR-ILE-GLY-PRO-PTR-LEU, Protein numb homolog, SULFATE ION | Authors: | Mapelli, M, Di Fiore, P.P. | Deposit date: | 2017-03-29 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Numb-Mdm2 fuzzy complex reveals an isoform-specific involvement of Numb in breast cancer. J. Cell Biol., 217, 2018
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5NJK
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![BU of 5njk by Molmil](/molmil-images/mine/5njk) | PTB domain of human Numb isoform-1 | Descriptor: | ALA-TYR-ILE-GLY-PRO-PTR-LEU, Protein numb homolog, SULFATE ION | Authors: | Mapelli, M, Di Fiore, P.P. | Deposit date: | 2017-03-29 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | A Numb-Mdm2 fuzzy complex reveals an isoform-specific involvement of Numb in breast cancer. J. Cell Biol., 217, 2018
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6QVJ
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![BU of 6qvj by Molmil](/molmil-images/mine/6qvj) | HsCKK (human CAMSAP1) decorated 14pf taxol-GDP microtubule | Descriptor: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | Deposit date: | 2019-03-02 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural determinants of microtubule minus end preference in CAMSAP CKK domains. Nat Commun, 10, 2019
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1LHT
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![BU of 1lht by Molmil](/molmil-images/mine/1lht) | LOGGERHEAD SEA TURTLE MYOGLOBIN (CYANO-MET) | Descriptor: | CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nardini, M, Tarricone, C, Lania, A, Desideri, A, De Sanctis, G, Coletta, M, Petruzzelli, R, Ascenzi, P, Coda, A, Bolognesi, M. | Deposit date: | 1995-02-01 | Release date: | 1995-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reptile heme protein structure: X-ray crystallographic study of the aquo-met and cyano-met derivatives of the loggerhead sea turtle (Caretta caretta) myoglobin at 2.0 A resolution. J.Mol.Biol., 247, 1995
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6QQM
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![BU of 6qqm by Molmil](/molmil-images/mine/6qqm) | Crystal structure of the alpha carbonic anhydrase from Schistosoma mansoni | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Putative carbonic anhydrase, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | Deposit date: | 2019-02-18 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
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6QYL
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![BU of 6qyl by Molmil](/molmil-images/mine/6qyl) | Structure of MBP-Mcl-1 in complex with compound 8a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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4RO2
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![BU of 4ro2 by Molmil](/molmil-images/mine/4ro2) | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Methylammonium | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | Authors: | De March, M, Napolitano, L.M.R, Onesti, S. | Deposit date: | 2014-10-27 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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5IN7
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![BU of 5in7 by Molmil](/molmil-images/mine/5in7) | X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | Descriptor: | Neuronal migration protein doublecortin | Authors: | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | Deposit date: | 2016-03-07 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies. J.Biol.Chem., 291, 2016
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8QKE
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![BU of 8qke by Molmil](/molmil-images/mine/8qke) | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ... | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | Deposit date: | 2023-09-15 | Release date: | 2024-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.504 Å) | Cite: | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1. Eur.J.Med.Chem., 269, 2024
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8QKG
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![BU of 8qkg by Molmil](/molmil-images/mine/8qkg) | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-125), ... | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | Deposit date: | 2023-09-15 | Release date: | 2024-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.538 Å) | Cite: | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1. Eur.J.Med.Chem., 269, 2024
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8QKJ
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![BU of 8qkj by Molmil](/molmil-images/mine/8qkj) | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-133), ... | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | Deposit date: | 2023-09-15 | Release date: | 2024-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1. Eur.J.Med.Chem., 269, 2024
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