4LCZ
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![BU of 4lcz by Molmil](/molmil-images/mine/4lcz) | Crystal structure of a multilayer-packed major light-harvesting complex | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Wan, T, Li, M, Chang, W.R. | Deposit date: | 2013-06-24 | Release date: | 2014-05-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a multilayer packed major light-harvesting complex: implications for grana stacking in higher plants. Mol Plant, 7, 2014
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5WDK
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![BU of 5wdk by Molmil](/molmil-images/mine/5wdk) | A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis | Descriptor: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION | Authors: | Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J. | Deposit date: | 2017-07-05 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro. Acs Chem.Biol., 13, 2018
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4LDU
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![BU of 4ldu by Molmil](/molmil-images/mine/4ldu) | Crystal structure of the DNA binding domain of Arabidopsis thaliana auxin response factor 5 | Descriptor: | Auxin response factor 5, CHLORIDE ION | Authors: | Boer, D.R, Freire-Rios, A, van den Berg, W.M.A, Weijers, D, Coll, M. | Deposit date: | 2013-06-25 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for DNA Binding Specificity by the Auxin-Dependent ARF Transcription Factors. Cell(Cambridge,Mass.), 156, 2014
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6F7S
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![BU of 6f7s by Molmil](/molmil-images/mine/6f7s) | |
7O13
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![BU of 7o13 by Molmil](/molmil-images/mine/7o13) | ABC transporter NosDFY, nucleotide-free in lipid nanodisc | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-11-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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6YN3
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![BU of 6yn3 by Molmil](/molmil-images/mine/6yn3) | Thrombin in complex with 4-hydroxybenzamide (j89) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-10 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Thrombin in complex with 4-hydroxybenzamide (j89) To be published
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6YMP
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![BU of 6ymp by Molmil](/molmil-images/mine/6ymp) | Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-09 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) To be published
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6YR2
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6YQV
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![BU of 6yqv by Molmil](/molmil-images/mine/6yqv) | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-18 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) To be published
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5VE2
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![BU of 5ve2 by Molmil](/molmil-images/mine/5ve2) | Crystal structure of enoyl-CoA hydratase/isomerase from Pseudoalteromonas atlantica T6c at 2.3 A resolution. | Descriptor: | DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase, GLYCEROL, ... | Authors: | Siuda, M.K, Shabalin, I.G, Cooper, D.R, Chapman, H.C, Tkaczuk, K.L, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-04-03 | Release date: | 2017-04-19 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of enoyl-CoA hydratase/isomerase from Pseudoalteromonas atlantica T6c at 2.3 A resolution. to be published
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6YR1
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![BU of 6yr1 by Molmil](/molmil-images/mine/6yr1) | |
6EZX
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![BU of 6ezx by Molmil](/molmil-images/mine/6ezx) | CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1 | Authors: | Banner, D.W, Benz, J, Kuglstatter, A. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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7OQZ
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![BU of 7oqz by Molmil](/molmil-images/mine/7oqz) | Cryo-EM structure of human TMEM45A | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Transmembrane protein 45A | Authors: | Grieben, M, Pike, A.C.W, Evans, A, Shrestha, L, Venkaya, S, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Carpenter, E.P. | Deposit date: | 2021-06-04 | Release date: | 2021-06-16 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | CryoEM structure of human TMEM45A To Be Published
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2MPV
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![BU of 2mpv by Molmil](/molmil-images/mine/2mpv) | Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli | Descriptor: | Major fimbrial subunit of aggregative adherence fimbria II AafA | Authors: | Matthews, S.J, Yang, Y, Berry, A.A, Pakharukova, N, Garnett, J.A, Lee, W, Cota, E, Liu, B, Roy, S, Tuittila, M, Marchant, J, Inman, K.G, Ruiz-Perez, F, Mandomando, I, Nataro, J.P, Zavialov, A.V. | Deposit date: | 2014-06-04 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
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8DK4
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![BU of 8dk4 by Molmil](/molmil-images/mine/8dk4) | Peroxisome proliferator-activated receptor gamma in complex with VSP-51-2 | Descriptor: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | Authors: | Ma, L, Zhou, X.E, Suino-Powell, K, Hou, N, Zhou, Z, Luo, J, Xu, H.E, Yi, W. | Deposit date: | 2022-07-02 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of VSP-51-2 as the Novel and Safe PPAR gamma Modulator: Structure-Based Design, Biological Validation and Crystal Analysis To Be Published
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1RMJ
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![BU of 1rmj by Molmil](/molmil-images/mine/1rmj) | C-terminal domain of insulin-like growth factor (IGF) binding protein-6: structure and interaction with IGF-II | Descriptor: | Insulin-like growth factor binding protein 6 | Authors: | Headey, S.J, Keizer, D.W, Yao, S, Brasier, G, Kantharidis, P, Bach, L.A, Norton, R.S. | Deposit date: | 2003-11-28 | Release date: | 2004-09-14 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | C-terminal domain of insulin-like growth factor (IGF) binding protein-6: structure and interaction with IGF-II. Mol.Endocrinol., 18, 2004
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6FHP
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![BU of 6fhp by Molmil](/molmil-images/mine/6fhp) | DAIP in complex with a C-terminal fragment of thermolysin | Descriptor: | Dispase autolysis-inducing protein, Thermolysin | Authors: | Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A. | Deposit date: | 2018-01-15 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487. FEBS J., 285, 2018
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4LDV
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![BU of 4ldv by Molmil](/molmil-images/mine/4ldv) | Crystal structure of the DNA binding domain of A. thailana auxin response factor 1 | Descriptor: | Auxin response factor 1, CHLORIDE ION, FORMIC ACID, ... | Authors: | boer, D.R, Freire-Rios, A, van den Berg, W.M.A, Weijers, D, Coll, M. | Deposit date: | 2013-06-25 | Release date: | 2014-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Basis for DNA Binding Specificity by the Auxin-Dependent ARF Transcription Factors. Cell(Cambridge,Mass.), 156, 2014
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1U0X
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![BU of 1u0x by Molmil](/molmil-images/mine/1u0x) | Crystal structure of nitrophorin 4 under pressure of xenon (200 psi) | Descriptor: | AMMONIA, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Nienhaus, K, Maes, E.M, Weichsel, A, Montfort, W.R, Nienhaus, G.U. | Deposit date: | 2004-07-14 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural dynamics controls nitric oxide affinity in nitrophorin 4 J.Biol.Chem., 279, 2004
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4R44
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![BU of 4r44 by Molmil](/molmil-images/mine/4r44) | Racemic crystal structure of a tetramolecular DNA G-quadruplex | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', POTASSIUM ION, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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6EUB
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![BU of 6eub by Molmil](/molmil-images/mine/6eub) | The fibrinogen-like domain of human Angptl4 | Descriptor: | Angiopoietin-related protein 4, PENTAETHYLENE GLYCOL | Authors: | Biterova, E.I, Esmaeeli, M, Alanen, H.I, Saaranen, M, Ruddock, L.W. | Deposit date: | 2017-10-30 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Angptl3 and Angptl4, modulators of triglyceride levels and coronary artery disease. Sci Rep, 8, 2018
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8BN8
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![BU of 8bn8 by Molmil](/molmil-images/mine/8bn8) | METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006 | Descriptor: | 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit | Authors: | Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O. | Deposit date: | 2022-11-13 | Release date: | 2023-09-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.213 Å) | Cite: | Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity. Cancer Discov, 13, 2023
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8HZT
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![BU of 8hzt by Molmil](/molmil-images/mine/8hzt) | |
5YCO
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![BU of 5yco by Molmil](/molmil-images/mine/5yco) | Complex structure of PCNA with UHRF2 | Descriptor: | E3 ubiquitin-protein ligase UHRF2, GLYCEROL, Proliferating cell nuclear antigen, ... | Authors: | Wu, M, Chen, W, Hang, T, Wang, C, Zhang, X, Zang, J. | Deposit date: | 2017-09-07 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Structure insights into the molecular mechanism of the interaction between UHRF2 and PCNA. Biochem. Biophys. Res. Commun., 494, 2017
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7ONS
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![BU of 7ons by Molmil](/molmil-images/mine/7ons) | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | Descriptor: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | Deposit date: | 2021-05-25 | Release date: | 2021-09-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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