1L40
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7M5L
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![BU of 7m5l by Molmil](/molmil-images/mine/7m5l) | PCNA bound to peptide mimetic with linker | Descriptor: | PROPANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen | Authors: | Vandborg, B.A, Bruning, J.B. | Deposit date: | 2021-03-24 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A cell permeable bimane-constrained PCNA-interacting peptide. Rsc Chem Biol, 2, 2021
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7JG1
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![BU of 7jg1 by Molmil](/molmil-images/mine/7jg1) | Dimeric Immunoglobin A (dIgA) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Igh protein, ... | Authors: | Kumar Bharathkar, S, Parker, B.P, Malyutin, A.G, Stadtmueller, B.M. | Deposit date: | 2020-07-18 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structures of Secretory and dimeric Immunoglobulin A. Elife, 9, 2020
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1L47
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7M5N
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![BU of 7m5n by Molmil](/molmil-images/mine/7m5n) | PCNA bound to peptide mimetic with linker | Descriptor: | 1,3-dimethylbenzene, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen | Authors: | Vandborg, B.A, Bruning, J.B. | Deposit date: | 2021-03-24 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | A cell permeable bimane-constrained PCNA-interacting peptide. Rsc Chem Biol, 2, 2021
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5GL3
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![BU of 5gl3 by Molmil](/molmil-images/mine/5gl3) | Crystal structure of TON_0340 in complex with Mg | Descriptor: | MAGNESIUM ION, Uncharacterized protein | Authors: | Lee, S.G, Sohn, Y.S, Oh, B.H. | Deposit date: | 2016-07-07 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of a Highly Conserved Hypothetical Protein TON_0340 as a Probable Manganese-Dependent Phosphatase. PLoS ONE, 11, 2016
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7MJ6
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![BU of 7mj6 by Molmil](/molmil-images/mine/7mj6) | HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ... | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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5VYQ
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![BU of 5vyq by Molmil](/molmil-images/mine/5vyq) | Crystal structure of the N-formyltransferase Rv3404c from mycobacterium tuberculosis in complex with YDP-Qui4N and folinic acid | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, CHLORIDE ION, ... | Authors: | Dunsirn, M.M, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-05-26 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Biochemical Investigation of Rv3404c from Mycobacterium tuberculosis. Biochemistry, 56, 2017
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1L50
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6GQT
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![BU of 6gqt by Molmil](/molmil-images/mine/6gqt) | KRAS-169 Q61H GPPNHP + PPIN-2 | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5VV8
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![BU of 5vv8 by Molmil](/molmil-images/mine/5vv8) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | Descriptor: | 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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1L38
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4PV2
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![BU of 4pv2 by Molmil](/molmil-images/mine/4pv2) | Crystal structure of potassium-dependent plant-type L-asparaginase from Phaseolus vulgaris in complex with K+ and Na+ cations | Descriptor: | L-ASPARAGINASE ALPHA SUBUNIT, L-ASPARAGINASE BETA SUBUNIT, NITRATE ION, ... | Authors: | Bejger, M, Gilski, M, Imiolczyk, B, Clavel, D, Jaskolski, M. | Deposit date: | 2014-03-14 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Na+/K+ exchange switches the catalytic apparatus of potassium-dependent plant L-asparaginase Acta Crystallogr.,Sect.D, 70, 2014
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1L45
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5VVC
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![BU of 5vvc by Molmil](/molmil-images/mine/5vvc) | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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1L69
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4BY9
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![BU of 4by9 by Molmil](/molmil-images/mine/4by9) | The structure of the Box CD enzyme reveals regulation of rRNA methylation | Descriptor: | 5'-R(*UP*CP*GP*CP*CP*CP*AP*UP*CP*AP*CP)-3', 50S RIBOSOMAL PROTEIN L7AE, FIBRILLARIN-LIKE RRNA/TRNA 2'-O-METHYLTRANSFERASE, ... | Authors: | Lapinaite, A, Simon, B, Skjaerven, L, Rakwalska-Bange, M, Gabel, F, Carlomagno, T. | Deposit date: | 2013-07-18 | Release date: | 2013-10-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The Structure of the Box C/D Enzyme Reveals Regulation of RNA Methylation. Nature, 502, 2013
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4JNE
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![BU of 4jne by Molmil](/molmil-images/mine/4jne) | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Hsp70 CHAPERONE DnaK, ... | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP. Nat.Struct.Mol.Biol., 20, 2013
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6KNK
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![BU of 6knk by Molmil](/molmil-images/mine/6knk) | Crystal structure of SbnH in complex with citryl-diaminoethane | Descriptor: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ... | Authors: | Tang, J, Ju, Y, Zhou, H. | Deposit date: | 2019-08-05 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis. J.Mol.Biol., 431, 2019
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4AMF
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![BU of 4amf by Molmil](/molmil-images/mine/4amf) | Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | Deposit date: | 2012-03-09 | Release date: | 2013-03-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science, 345, 2014
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7FF8
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4PVT
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![BU of 4pvt by Molmil](/molmil-images/mine/4pvt) | Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | Authors: | Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-03-18 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
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2X0R
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![BU of 2x0r by Molmil](/molmil-images/mine/2x0r) | R207S, R292S Mutant of Malate Dehydrogenase from the Halophilic Archeon Haloarcula marismortui (HoloForm) | Descriptor: | CHLORIDE ION, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Irimia, A, Ebel, C, Vellieux, F.M.D, Richard, S.B, Cosenza, L.W, Zaccai, G, Madern, D. | Deposit date: | 2009-12-17 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.915 Å) | Cite: | The Oligomeric States of Haloarcula Marismortui Malate Dehydrogenase are Modulated by Solvent Components as Shown by Crystallographic and Biochemical Studies J.Mol.Biol., 326, 2003
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6D09
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![BU of 6d09 by Molmil](/molmil-images/mine/6d09) | Crystal structure of PT2440 bound to HIF2a-B*:ARNT-B* complex | Descriptor: | 3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Du, X. | Deposit date: | 2018-04-10 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of PT1940 bound to HIF2a-B*:ARNT-B* complex To Be Published
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5ZBH
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![BU of 5zbh by Molmil](/molmil-images/mine/5zbh) | The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885 | Descriptor: | Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | Authors: | Yang, Z, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2018-02-11 | Release date: | 2018-04-25 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor Nature, 556, 2018
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