6GJ5
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![BU of 6gj5 by Molmil](/molmil-images/mine/6gj5) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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1CY2
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8JQ5
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8JS9
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![BU of 8js9 by Molmil](/molmil-images/mine/8js9) | Cryo-EM structure of SV2A in complex with BoNT/A2 Hc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Botulinum neurotoxin, ... | Authors: | Yamagata, A. | Deposit date: | 2023-06-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A. Nat Commun, 15, 2024
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4C4H
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![BU of 4c4h by Molmil](/molmil-images/mine/4c4h) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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8IYO
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![BU of 8iyo by Molmil](/molmil-images/mine/8iyo) | Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase domain-containing protein | Authors: | Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S. | Deposit date: | 2023-04-05 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form To be published
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8JQ6
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8IYM
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![BU of 8iym by Molmil](/molmil-images/mine/8iym) | Crystal structure of a protein acetyltransferase, HP0935 | Descriptor: | 1,2-ETHANEDIOL, N-acetyltransferase domain-containing protein, POTASSIUM ION, ... | Authors: | Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S. | Deposit date: | 2023-04-05 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a protein acetyltransferase, HP0935 To be published
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4YYX
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3J7Y
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![BU of 3j7y by Molmil](/molmil-images/mine/3j7y) | Structure of the large ribosomal subunit from human mitochondria | Descriptor: | 16S rRNA, ADENOSINE MONOPHOSPHATE, CRIF1, ... | Authors: | Brown, A, Amunts, A, Bai, X.C, Sugimoto, Y, Edwards, P.C, Murshudov, G, Scheres, S.H.W, Ramakrishnan, V. | Deposit date: | 2014-08-26 | Release date: | 2014-10-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of the large ribosomal subunit from human mitochondria. Science, 346, 2014
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5NDD
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![BU of 5ndd by Molmil](/molmil-images/mine/5ndd) | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | Descriptor: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | Deposit date: | 2017-03-08 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2. Nature, 545, 2017
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3JSV
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![BU of 3jsv by Molmil](/molmil-images/mine/3jsv) | Crystal structure of mouse NEMO CoZi in complex with Lys63-linked di-ubiquitin | Descriptor: | NF-kappa-B essential modulator, Ubiquitin | Authors: | Yoshikawa, A, Sato, Y, Mimura, H, Yamashita, M, Yamagata, A, Fukai, S. | Deposit date: | 2009-09-11 | Release date: | 2009-10-27 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the NEMO ubiquitin-binding domain in complex with Lys 63-linked di-ubiquitin Febs Lett., 583, 2009
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8J1K
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![BU of 8j1k by Molmil](/molmil-images/mine/8j1k) | co-crystal structure of non-carboxylic acid inhibitor with PHD2 | Descriptor: | Egl nine homolog 1, MANGANESE (II) ION, N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide | Authors: | Xu, J, Fu, Y, Ding, X, Meng, Q, Wang, L, Zhang, M, Ding, X, Ren, F, Zhavoronkov, A. | Deposit date: | 2023-04-13 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | co-crystal structure of non-carboxylic acid inhibitor with PHD2 To Be Published
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4YZU
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6TRA
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![BU of 6tra by Molmil](/molmil-images/mine/6tra) | Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6 | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Koelsch, A, Radon, C, Baumert, A, Buerger, J, Miehlke, T, Lisdat, F, Zouni, A, Wendler, P. | Deposit date: | 2019-12-18 | Release date: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I Curr.Opin.Struct.Biol., 2, 2020
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1CY8
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![BU of 1cy8 by Molmil](/molmil-images/mine/1cy8) | COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'-THYMIDINE MONOPHOSPHATE AND 3'-THYMIDINE MONOPHOSPHATE | Descriptor: | DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-3'-PHOSPHATE, ... | Authors: | Feinberg, H, Changela, A, Mondragon, A. | Deposit date: | 1999-08-31 | Release date: | 2000-03-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Protein-nucleotide interactions in E. coli DNA topoisomerase I. Nat.Struct.Biol., 6, 1999
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3JZ9
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![BU of 3jz9 by Molmil](/molmil-images/mine/3jz9) | Crystal structure of the GEF domain of DrrA/SidM from Legionella pneumophila | Descriptor: | Uncharacterized protein DrrA | Authors: | Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2009-09-23 | Release date: | 2010-01-19 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity. Mol.Cell, 36, 2009
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3K01
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![BU of 3k01 by Molmil](/molmil-images/mine/3k01) | Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium. | Descriptor: | Acarbose/maltose binding protein GacH, SULFATE ION | Authors: | Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E. | Deposit date: | 2009-09-24 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium. J.Mol.Biol., 397, 2010
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5K0Y
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![BU of 5k0y by Molmil](/molmil-images/mine/5k0y) | m48S late-stage initiation complex, purified from rabbit reticulocytes lysates, displaying eIF2 ternary complex and eIF3 i and g subunits relocated to the intersubunit face | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S12, 40S ribosomal protein S21, ... | Authors: | Simonetti, A, Brito Querido, J, Myasnikov, A.G, Mancera-Martinez, E, Renaud, A, Kuhn, L, Hashem, Y. | Deposit date: | 2016-05-17 | Release date: | 2016-07-13 | Last modified: | 2018-04-18 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | eIF3 Peripheral Subunits Rearrangement after mRNA Binding and Start-Codon Recognition. Mol.Cell, 63, 2016
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5N88
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![BU of 5n88 by Molmil](/molmil-images/mine/5n88) | Crystal structure of antibody bound to viral protein | Descriptor: | PC4 and SFRS1-interacting protein, VH59 antibody | Authors: | Bao, L, Hannon, C, Cruz-Migoni, A, Ptchelkine, D, Sun, M.-y, Derveni, M, Bunjobpol, W, Chambers, J.S, Simmons, A, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2017-02-23 | Release date: | 2017-12-20 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein. Sci Rep, 7, 2017
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6B46
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![BU of 6b46 by Molmil](/molmil-images/mine/6b46) | Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF1 | Descriptor: | Anti-CRISPR protein AcrF1, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy3, ... | Authors: | Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S. | Deposit date: | 2017-09-25 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex. Cell, 171, 2017
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6TQL
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![BU of 6tql by Molmil](/molmil-images/mine/6tql) | Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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8JOR
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![BU of 8jor by Molmil](/molmil-images/mine/8jor) | Structure of an acyltransferase involved in mannosylerythritol lipid formation from Pseudozyma tsukubaensis in type A crystal | Descriptor: | Acyltransferase, PENTAETHYLENE GLYCOL | Authors: | Nakamichi, Y, Saika, A, Watanabe, M, Fujii, T, Morita, T. | Deposit date: | 2023-06-08 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural identification of catalytic His158 of PtMAC2p from Pseudozyma tsukubaensis , an acyltransferase involved in mannosylerythritol lipids formation. Front Bioeng Biotechnol, 11, 2023
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6FIX
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![BU of 6fix by Molmil](/molmil-images/mine/6fix) | antitoxin GraA in complex with its operator | Descriptor: | DNA (30-MER), XRE family transcriptional regulator | Authors: | Talavera, A, Loris, R. | Deposit date: | 2018-01-19 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun, 10, 2019
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6AY6
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![BU of 6ay6 by Molmil](/molmil-images/mine/6ay6) | Naegleria fowleri CYP51-voriconazole complex | Descriptor: | CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-07 | Release date: | 2017-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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