4JLE
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![BU of 4jle by Molmil](/molmil-images/mine/4jle) | Structure of the P. falciparum PFI1780w PHIST domain | Descriptor: | ACETATE ION, CHLORIDE ION, PHIST | Authors: | Slater, L, Vakonakis, I. | Deposit date: | 2013-03-12 | Release date: | 2014-04-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A Plasmodium falciparum PHIST protein binds the virulence factor PfEMP1 and comigrates to knobs on the host cell surface. Faseb J., 28, 2014
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2WGH
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![BU of 2wgh by Molmil](/molmil-images/mine/2wgh) | Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg. | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P. | Deposit date: | 2009-04-19 | Release date: | 2009-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization. Nat.Struct.Mol.Biol., 18, 2011
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7AC2
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![BU of 7ac2 by Molmil](/molmil-images/mine/7ac2) | Structure of Hen Egg White Lysozyme collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | CHLORIDE ION, Lysozyme, SODIUM ION | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M. | Deposit date: | 2020-09-09 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.507 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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6ROA
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![BU of 6roa by Molmil](/molmil-images/mine/6roa) | Crystal structure of V57G mutant of human cystatin C | Descriptor: | Cystatin-C | Authors: | Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A. | Deposit date: | 2019-05-10 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution. Febs J., 287, 2020
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6SE7
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![BU of 6se7 by Molmil](/molmil-images/mine/6se7) | |
6SMV
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![BU of 6smv by Molmil](/molmil-images/mine/6smv) | Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif | Descriptor: | DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Mastermind-like protein 1, ZINC ION, ... | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-22 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Cellular target recognition by HPV18 and HPV49 oncoproteins To be published
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4B2R
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![BU of 4b2r by Molmil](/molmil-images/mine/4b2r) | Solution structure of CCP modules 10-11 of complement factor H | Descriptor: | COMPLEMENT FACTOR H | Authors: | Makou, E, Mertens, H.D.T, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N. | Deposit date: | 2012-07-17 | Release date: | 2012-10-10 | Last modified: | 2019-09-25 | Method: | SOLUTION NMR | Cite: | Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H. J.Mol.Biol., 424, 2012
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4H2X
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![BU of 4h2x by Molmil](/molmil-images/mine/4h2x) | Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and an analogue of glycyl adenylate | Descriptor: | 4'-PHOSPHOPANTETHEINE, 5'-O-(glycylsulfamoyl)adenosine, Amino acid--[acyl-carrier-protein] ligase 1, ... | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | Deposit date: | 2012-09-13 | Release date: | 2013-03-06 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013
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3UK6
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![BU of 3uk6 by Molmil](/molmil-images/mine/3uk6) | Crystal Structure of the Tip48 (Tip49b) hexamer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 2 | Authors: | Petukhov, M, Dagkessamanskaja, A, Bommer, M, Barrett, T, Tsaneva, I, Yakimov, A, Queval, R, Shvetsov, A, Khodorkovskiy, M, Kas, E, Grigoriev, M. | Deposit date: | 2011-11-09 | Release date: | 2012-07-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Large-Scale Conformational Flexibility Determines the Properties of AAA+ TIP49 ATPases. Structure, 20, 2012
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5ABM
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![BU of 5abm by Molmil](/molmil-images/mine/5abm) | Sheep aldehyde dehydrogenase 1A1 | Descriptor: | MAGNESIUM ION, RETINAL DEHYDROGENASE 1, [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | Deposit date: | 2015-08-07 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues. Angew.Chem.Int.Ed.Engl., 54, 2015
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3ZF4
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![BU of 3zf4 by Molmil](/molmil-images/mine/3zf4) | Phage dUTPases control transfer of virulence genes by a proto- oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y81A mutant with dUpNHpp). | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, MAGNESIUM ION, ... | Authors: | Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R. | Deposit date: | 2012-12-10 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism. Mol.Cell, 49, 2013
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3ZQR
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![BU of 3zqr by Molmil](/molmil-images/mine/3zqr) | NMePheB25 insulin analogue crystal structure | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | Deposit date: | 2011-06-10 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface. J.Biol.Chem., 286, 2011
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6URL
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![BU of 6url by Molmil](/molmil-images/mine/6url) | Barrier-to-autointegration factor soaked in isopropanol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-23 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6Z1T
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![BU of 6z1t by Molmil](/molmil-images/mine/6z1t) | MAP3K14 (NIK) in complex with 4S/3694 | Descriptor: | 4S/3694, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | Deposit date: | 2020-05-14 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2, 2020
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6URR
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![BU of 6urr by Molmil](/molmil-images/mine/6urr) | Barrier-to-autointegration factor soaked in Dioxane: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-24 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6YVE
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![BU of 6yve by Molmil](/molmil-images/mine/6yve) | Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | Authors: | Drakou, C.E, Gardeli, C, Tsialtas, I, Alexopoulos, S, Mallouchos, A, Koulas, S, Tsagkarakou, A, Asimakopoulos, D, Leonidas, D.D, Psarra, A.M, Skamnaki, V.T. | Deposit date: | 2020-04-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode. J.Agric.Food Chem., 68, 2020
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2VSM
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![BU of 2vsm by Molmil](/molmil-images/mine/2vsm) | Nipah virus attachment glycoprotein in complex with human cell surface receptor ephrinB2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EPHRIN-B2, HEMAGGLUTININ-NEURAMINIDASE, ... | Authors: | Bowden, T.A, Aricescu, A.R, Gilbert, R.J, Grimes, J.M, Jones, E.Y, Stuart, D.I. | Deposit date: | 2008-04-25 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Nipah and Hendra Virus Attachment to Their Cell-Surface Receptor Ephrin-B2 Nat.Struct.Mol.Biol., 15, 2008
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6S02
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![BU of 6s02 by Molmil](/molmil-images/mine/6s02) | |
4ZVC
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![BU of 4zvc by Molmil](/molmil-images/mine/4zvc) | |
7S4Z
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![BU of 7s4z by Molmil](/molmil-images/mine/7s4z) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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7S4W
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![BU of 7s4w by Molmil](/molmil-images/mine/7s4w) | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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3L19
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![BU of 3l19 by Molmil](/molmil-images/mine/3l19) | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820 | Descriptor: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL, ... | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-11 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820 To be Published
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6YUG
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![BU of 6yug by Molmil](/molmil-images/mine/6yug) | Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase | Authors: | Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L. | Deposit date: | 2020-04-27 | Release date: | 2020-09-30 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development. Mbio, 11, 2020
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8IGF
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![BU of 8igf by Molmil](/molmil-images/mine/8igf) | Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution | Descriptor: | (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I. | Deposit date: | 2023-02-20 | Release date: | 2024-02-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II. Int.J.Biol.Macromol., 267, 2024
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6USI
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![BU of 6usi by Molmil](/molmil-images/mine/6usi) | Barrier-to-autointegration factor soaked in 1,6-hexanediol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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