6ARZ
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![BU of 6arz by Molmil](/molmil-images/mine/6arz) | Structure of a phage anti-CRISPR protein | Descriptor: | BROMIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Calmettes, C, Shah, M, Pawluk, A, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | Deposit date: | 2017-08-23 | Release date: | 2018-08-29 | Last modified: | 2019-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein. MBio, 8, 2017
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5XIG
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![BU of 5xig by Molmil](/molmil-images/mine/5xig) | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 1 | Descriptor: | 3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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6SBU
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![BU of 6sbu by Molmil](/molmil-images/mine/6sbu) | X-ray Structure of Human LDHA with an Allosteric Inhibitor (Compound 3) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid, L-lactate dehydrogenase A chain | Authors: | Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H. | Deposit date: | 2019-07-22 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A. Acs Omega, 5, 2020
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6SGX
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![BU of 6sgx by Molmil](/molmil-images/mine/6sgx) | Structure of protomer 1 of the ESX-3 core complex | Descriptor: | ESX-3 secretion system EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
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2DD6
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![BU of 2dd6 by Molmil](/molmil-images/mine/2dd6) | Solution structure of Dermaseptin antimicrobial peptide truncated, mutated analog, K4-S4(1-13)a | Descriptor: | Dermaseptin-4 | Authors: | Shalev, D.E, Rotem, S, Fish, A, Mor, A. | Deposit date: | 2006-01-19 | Release date: | 2006-02-28 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13) J.Biol.Chem., 281, 2006
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5XCY
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![BU of 5xcy by Molmil](/molmil-images/mine/5xcy) | Structure of the cellobiohydrolase Cel6A from Phanerochaete chrysosporium at 1.2 angstrom | Descriptor: | Glucanase | Authors: | Tachioka, M, Nakamura, A, Ishida, T, Igarashi, K, Samejima, M. | Deposit date: | 2017-03-24 | Release date: | 2017-07-26 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Crystal structure of a family 6 cellobiohydrolase from the basidiomycete Phanerochaete chrysosporium Acta Crystallogr F Struct Biol Commun, 73, 2017
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1U0D
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![BU of 1u0d by Molmil](/molmil-images/mine/1u0d) | Y33H Mutant of Homing endonuclease I-CreI | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*CP*GP*C)-3', 5'-D(*GP*CP*GP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', DNA endonuclease I-CreI | Authors: | Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M. | Deposit date: | 2004-07-13 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Isolation and characterization of new homing endonuclease specificities at individual target site positions. J.Mol.Biol., 342, 2004
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4EVH
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![BU of 4evh by Molmil](/molmil-images/mine/4evh) | |
5XVU
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![BU of 5xvu by Molmil](/molmil-images/mine/5xvu) | Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q. | Deposit date: | 2017-06-28 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition. Sci Rep, 8, 2018
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8J3N
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8IWI
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![BU of 8iwi by Molmil](/molmil-images/mine/8iwi) | |
4Y35
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![BU of 4y35 by Molmil](/molmil-images/mine/4y35) | |
5XPG
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![BU of 5xpg by Molmil](/molmil-images/mine/5xpg) | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 6'U7' on the target strand | Descriptor: | 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*A P*GP*T)-3', 5'-R(*UP*AP*U*AP*CP*AP*AP*CP*CP*UP*AP*CP*AP*UP*AP*CP*CP*UP*CP* G)-3', MAGNESIUM ION, ... | Authors: | Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y. | Deposit date: | 2017-06-02 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes. Nucleic Acids Res., 45, 2017
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1S2X
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![BU of 1s2x by Molmil](/molmil-images/mine/1s2x) | Crystal structure of Cag-Z from Helicobacter pylori | Descriptor: | Cag-Z, ISOPROPYL ALCOHOL | Authors: | Cendron, L, Seydel, A, Angelini, A, Battistutta, R, Zanotti, G. | Deposit date: | 2004-01-12 | Release date: | 2004-07-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of CagZ, a protein from the Helicobacter pylori pathogenicity island that encodes for a type IV secretion system J.Mol.Biol., 340, 2004
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8IVK
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1S1N
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![BU of 1s1n by Molmil](/molmil-images/mine/1s1n) | SH3 domain of human nephrocystin | Descriptor: | Nephrocystin 1 | Authors: | Le Maire, A, Weber, T, Saunier, S, Antignac, C, Ducruix, A, Dardel, F. | Deposit date: | 2004-01-07 | Release date: | 2005-01-18 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the SH3 domain of human nephrocystin and analysis of a mutation-causing juvenile nephronophthisis. Proteins, 59, 2005
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8IXS
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![BU of 8ixs by Molmil](/molmil-images/mine/8ixs) | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | Descriptor: | (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Nomura, A, Yamaguchi, K, Adachi, T. | Deposit date: | 2023-04-03 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor. Acs Med.Chem.Lett., 14, 2023
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8IVR
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![BU of 8ivr by Molmil](/molmil-images/mine/8ivr) | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | Descriptor: | (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Nomura, A, Yamaguchi, K, Adachi, T. | Deposit date: | 2023-03-28 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor. Acs Med.Chem.Lett., 14, 2023
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8JFS
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![BU of 8jfs by Molmil](/molmil-images/mine/8jfs) | Phosphate bound acylphosphatase from Deinococcus radiodurans at 1 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, Acylphosphatase, CITRIC ACID, ... | Authors: | Khakerwala, Z, Kumar, A, Makde, R.D. | Deposit date: | 2023-05-18 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal structure of phosphate bound Acyl phosphatase mini-enzyme from Deinococcus radiodurans at 1 angstrom resolution. Biochem.Biophys.Res.Commun., 671, 2023
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5XVK
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![BU of 5xvk by Molmil](/molmil-images/mine/5xvk) | Crystal structure of mouse Nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl Nicotinamide (MNA) | Descriptor: | 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase, ... | Authors: | Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R. | Deposit date: | 2017-06-28 | Release date: | 2017-08-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of monkey and mouse nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl nicotinamide Biochem. Biophys. Res. Commun., 491, 2017
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8IVG
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![BU of 8ivg by Molmil](/molmil-images/mine/8ivg) | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | Descriptor: | (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Kelch-like ECH-associated protein 1, ... | Authors: | Otake, K, Ubukata, M, Nagahashi, N, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | Deposit date: | 2023-03-27 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor. Acs Med.Chem.Lett., 14, 2023
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5XWE
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![BU of 5xwe by Molmil](/molmil-images/mine/5xwe) | Structure of a three finger toxin from Ophiophagus hannah venom | Descriptor: | CHLORIDE ION, GLYCEROL, Weak toxin DE-1 homolog 1, ... | Authors: | Jobichen, C, Roy, A, Kini, R.M, Sivaraman, J. | Deposit date: | 2017-06-29 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of a three finger toxin from Ophiophagus hannah venom To Be Published
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6SBV
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![BU of 6sbv by Molmil](/molmil-images/mine/6sbv) | X-ray Structure of Human LDH-A with an Allosteric Inhibitor (Compound 7) | Descriptor: | L-lactate dehydrogenase A chain, ~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide | Authors: | Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H. | Deposit date: | 2019-07-22 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A. Acs Omega, 5, 2020
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5XT2
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![BU of 5xt2 by Molmil](/molmil-images/mine/5xt2) | Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121 | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-06-16 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system. Sci Signal, 11, 2018
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3W31
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![BU of 3w31 by Molmil](/molmil-images/mine/3w31) | Structual basis for the recognition of Ubc13 by the Shigella flexneri effector OspI | Descriptor: | IODIDE ION, ORF169b, Ubiquitin-conjugating enzyme E2 N | Authors: | Nishide, A, Kim, M, Takagi, K, Sasakawa, C, Mizushima, T. | Deposit date: | 2012-12-07 | Release date: | 2013-03-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Structural basis for the recognition of Ubc13 by the Shigella flexneri effector OspI. J.Mol.Biol., 425, 2013
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