7KP0
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![BU of 7kp0 by Molmil](/molmil-images/mine/7kp0) | CD1a-42:1 SM binary complex | Descriptor: | (4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | Deposit date: | 2020-11-10 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response. J.Exp.Med., 218, 2021
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3ZLS
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![BU of 3zls by Molmil](/molmil-images/mine/3zls) | Crystal structure of MEK1 in complex with fragment 6 | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-04 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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7KOZ
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![BU of 7koz by Molmil](/molmil-images/mine/7koz) | CD1a-36:2 SM binary complex | Descriptor: | (4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | Deposit date: | 2020-11-10 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response. J.Exp.Med., 218, 2021
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3ZM4
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![BU of 3zm4 by Molmil](/molmil-images/mine/3zm4) | Crystal structure of MEK1 in complex with fragment 1 | Descriptor: | 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-05 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZLW
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![BU of 3zlw by Molmil](/molmil-images/mine/3zlw) | Crystal structure of MEK1 in complex with fragment 3 | Descriptor: | (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ... | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-04 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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7JQ9
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![BU of 7jq9 by Molmil](/molmil-images/mine/7jq9) | Cryo-EM structure of human HUWE1 | Descriptor: | E3 ubiquitin-protein ligase HUWE1 | Authors: | Hunkeler, M, Fischer, E.S. | Deposit date: | 2020-08-10 | Release date: | 2021-07-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition. Mol.Cell, 81, 2021
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4ZDI
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![BU of 4zdi by Molmil](/molmil-images/mine/4zdi) | |
1LG7
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![BU of 1lg7 by Molmil](/molmil-images/mine/1lg7) | |
1LHM
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![BU of 1lhm by Molmil](/molmil-images/mine/1lhm) | |
4ZQM
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![BU of 4zqm by Molmil](/molmil-images/mine/4zqm) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with XMP and NAD | Descriptor: | Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
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7KJ6
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![BU of 7kj6 by Molmil](/molmil-images/mine/7kj6) | Structure of Legionella Effector LegA15 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ankyrin repeat-containing protein, CHLORIDE ION, ... | Authors: | Cygler, M, Chung, I.Y.W. | Deposit date: | 2020-10-26 | Release date: | 2021-08-18 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Legionella effector LegA15/AnkH contains an unrecognized cysteine protease-like domain and displays structural similarity to LegA3/AnkD, but differs in host cell localization. Acta Crystallogr D Struct Biol, 77, 2021
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7KE0
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![BU of 7ke0 by Molmil](/molmil-images/mine/7ke0) | |
3IQ2
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![BU of 3iq2 by Molmil](/molmil-images/mine/3iq2) | Human sorting nexin 7, phox homology (PX) domain | Descriptor: | GLYCEROL, SULFATE ION, Sorting nexin-7 | Authors: | Karlberg, T, Wisniewska, 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, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-19 | Release date: | 2009-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Human Sorting Nexin 7, Phox Homology (Px) Domain To be Published
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4ZQP
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![BU of 4zqp by Molmil](/molmil-images/mine/4zqp) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1 | Descriptor: | 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine, GLYCEROL, INOSINIC ACID, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
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5OW6
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![BU of 5ow6 by Molmil](/molmil-images/mine/5ow6) | CryoEM structure of recombinant CMV particles with Tetanus-epitope | Descriptor: | Capsid protein, VP2, VP3, ... | Authors: | Kotecha, A, Stuart, D.I, Backmann, M. | Deposit date: | 2017-08-30 | Release date: | 2017-09-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Incorporation of tetanus-epitope into virus-like particles achieves vaccine responses even in older recipients in models of psoriasis, Alzheimer's and cat allergy. NPJ Vaccines, 2, 2017
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4CEX
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![BU of 4cex by Molmil](/molmil-images/mine/4cex) | 1.59 A resolution Fluoride inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ... | Authors: | Benini, S, Cianci, M, Ciurli, S. | Deposit date: | 2013-11-12 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Fluoride Inhibition of Sporosarcina Pasteurii Urease: Structure and Thermodynamics. J.Biol.Inorg.Chem., 19, 2014
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4ZQR
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![BU of 4zqr by Molmil](/molmil-images/mine/4zqr) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-11 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
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4EU2
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![BU of 4eu2 by Molmil](/molmil-images/mine/4eu2) | Crystal structure of 20s proteasome with novel inhibitor K-7174 | Descriptor: | 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane, Proteasome component C1, Proteasome component C11, ... | Authors: | Kikuchi, J, Shibayama, N, Yamada, S, Wada, T, Nobuyoshi, M, Izumi, T, Akutsu, M, Kano, Y, Ohki, M, Sugiyama, K, Park, S.-Y, Furukawa, Y. | Deposit date: | 2012-04-25 | Release date: | 2013-05-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.509 Å) | Cite: | Homopiperazine derivatives as a novel class of proteasome inhibitors with a unique mode of proteasome binding. Plos One, 8, 2013
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1MXR
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![BU of 1mxr by Molmil](/molmil-images/mine/1mxr) | High resolution structure of Ribonucleotide reductase R2 from E. coli in its oxidised (Met) form | Descriptor: | FE (III) ION, GLYCEROL, MERCURY (II) ION, ... | Authors: | Andersson, M.A, Hogbom, M, Nordlund, P. | Deposit date: | 2002-10-03 | Release date: | 2003-03-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Displacement of the tyrosyl radical cofactor in ribonucleotide reductase obtained by single-crystal high-field EPR and 1.4-A x-ray data. Proc.Natl.Acad.Sci.Usa, 100, 2003
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2PZ9
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![BU of 2pz9 by Molmil](/molmil-images/mine/2pz9) | Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor | Descriptor: | Putative regulatory protein, SULFATE ION | Authors: | Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-05-17 | Release date: | 2007-06-19 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In situ proteolysis for protein crystallization and structure determination. Nat.Methods, 4, 2007
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4ZYE
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![BU of 4zye by Molmil](/molmil-images/mine/4zye) | |
4ZV6
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![BU of 4zv6 by Molmil](/molmil-images/mine/4zv6) | Crystal structure of the artificial alpharep-7 octarellinV.1 complex | Descriptor: | AlphaRep-7, Octarellin V.1 | Authors: | Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C. | Deposit date: | 2015-05-18 | Release date: | 2016-05-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools. J.Struct.Biol., 195, 2016
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3ZJY
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![BU of 3zjy by Molmil](/molmil-images/mine/3zjy) | Crystal Structure of Importin 13 - RanGTP - eIF1A complex | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 1A, X-CHROMOSOMAL, GTP-BINDING NUCLEAR PROTEIN RAN, ... | Authors: | Gruenwald, M, Lazzaretti, D, Bono, F. | Deposit date: | 2013-01-21 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural Basis for the Nuclear Export Activity of Importin13. Embo J., 32, 2013
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4ZZX
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![BU of 4zzx by Molmil](/molmil-images/mine/4zzx) | Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor | Descriptor: | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | Deposit date: | 2015-04-15 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. J.Med.Chem., 58, 2015
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2UW2
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![BU of 2uw2 by Molmil](/molmil-images/mine/2uw2) | Crystal structure of human ribonucleotide reductase subunit R2 | Descriptor: | FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 SUBUNIT | Authors: | Welin, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Stenmark, P, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P. | Deposit date: | 2007-03-16 | Release date: | 2007-04-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Ribonucleotide Reductase Subunit R2 To be Published
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