6X4Q
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![BU of 6x4q by Molmil](/molmil-images/mine/6x4q) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33) | Descriptor: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X06
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6X0N
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7C83
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![BU of 7c83 by Molmil](/molmil-images/mine/7c83) | Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D. | Deposit date: | 2020-05-28 | Release date: | 2021-01-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism. Nat Commun, 12, 2021
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2YAD
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![BU of 2yad by Molmil](/molmil-images/mine/2yad) | BRICHOS domain of Surfactant protein C precursor protein | Descriptor: | SURFACTANT PROTEIN C BRICHOS DOMAIN | Authors: | Askarieh, G, Siponen, M.I, Willander, H, Landreh, M, Westermark, P, Nordling, K, Keranen, H, Hermansson, E, Hamvas, A, Nogee, L.M, Bergman, T, Saenz, A, Casals, C, Aqvist, J, Jornvall, H, Presto, J, Johansson, J, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Nordlund, P, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Knight, S.D. | Deposit date: | 2011-02-18 | Release date: | 2012-02-15 | Last modified: | 2014-08-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High Resolution Structure of a Bricos Domain and its Implications for Anti-Amyloid Chaperone Activity on Lung Surgactant Protein C. Proc.Natl.Acad.Sci.USA, 109, 2012
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7CDV
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![BU of 7cdv by Molmil](/molmil-images/mine/7cdv) | STRUCTURE OF A NOVEL VIRULENCE REGULATION FACTOR SghR | Descriptor: | LacI-type transcription factor | Authors: | Ye, F.Z, Wang, C, Yan, X.F, Zhang, L.H, Gao, Y.G. | Deposit date: | 2020-06-20 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of a novel repressor, SghR, controllingAgrobacteriuminfection by cross-talking to plants. J.Biol.Chem., 295, 2020
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2YCH
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![BU of 2ych by Molmil](/molmil-images/mine/2ych) | PilM-PilN type IV pilus biogenesis complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COMPETENCE PROTEIN PILM, COMPETENCE PROTEIN PILN, ... | Authors: | Karuppiah, V, Derrick, J.P. | Deposit date: | 2011-03-15 | Release date: | 2011-05-11 | Last modified: | 2011-10-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the Pilm-Piln Inner Membrane Type Iv Pilus Biogenesis Complex from Thermus Thermophilus. J.Biol.Chem., 286, 2011
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6WG9
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![BU of 6wg9 by Molmil](/molmil-images/mine/6wg9) | Crystal structure of tetracycline destructase Tet(X7) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Tetracycline destructase Tet(X7) | Authors: | Kumar, H, Tolia, N.H. | Deposit date: | 2020-04-05 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Tetracycline-inactivating enzymes from environmental, human commensal, and pathogenic bacteria cause broad-spectrum tetracycline resistance. Commun Biol, 3, 2020
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2YG8
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![BU of 2yg8 by Molmil](/molmil-images/mine/2yg8) | Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus radiodurans | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA-3-methyladenine glycosidase II, ... | Authors: | Moe, E, Hall, D.R, Leiros, I, Talstad, V, Timmins, J, McSweeney, S. | Deposit date: | 2011-04-11 | Release date: | 2011-04-20 | Last modified: | 2018-12-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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7CF6
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![BU of 7cf6 by Molmil](/molmil-images/mine/7cf6) | Crystal structure of Beta-aspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum AW-1 in complex with beta-Asp-Leu dipeptide | Descriptor: | (2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dhanasingh, I, La, J.W, Lee, D.W, Lee, S.H. | Deposit date: | 2020-06-24 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Functional Characterization of Primordial Protein Repair Enzyme M38 Metallo-Peptidase From Fervidobacterium islandicum AW-1. Front Mol Biosci, 7, 2020
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3MAW
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7COJ
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![BU of 7coj by Molmil](/molmil-images/mine/7coj) | Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, ZINC ION | Authors: | Jin, M.S, Kim, S, Yeon, J, Sung, J. | Deposit date: | 2020-08-04 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus . Mol.Cells, 43, 2020
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7CJD
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4K1K
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![BU of 4k1k by Molmil](/molmil-images/mine/4k1k) | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | Deposit date: | 2013-04-05 | Release date: | 2013-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding Sci Rep, 3, 2013
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2YZS
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7C3F
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![BU of 7c3f by Molmil](/molmil-images/mine/7c3f) | Crystal structure of ferredoxin: thioredoxin reductase and thioredoxin m2 complex | Descriptor: | Ferredoxin-thioredoxin reductase catalytic chain, chloroplastic, Ferredoxin-thioredoxin reductase variable chain, ... | Authors: | Kurisu, G, Juniar, L, Tanaka, H. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3986 Å) | Cite: | Structural basis for thioredoxin isoform-based fine-tuning of ferredoxin-thioredoxin reductase activity. Protein Sci., 29, 2020
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6WLH
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2YV8
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![BU of 2yv8 by Molmil](/molmil-images/mine/2yv8) | Crystal structure of N-terminal domain of human galectin-8 | Descriptor: | Galectin-8 variant | Authors: | Kishishita, S, Nishino, A, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-10 | Release date: | 2008-04-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of N-terminal domain of human galectin-8 To be Published
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7CUY
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![BU of 7cuy by Molmil](/molmil-images/mine/7cuy) | Crystal structure of Primo-1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Low molecular weight phosphotyrosine protein phosphatase 1 | Authors: | Lee, H.S, Kim, S.J, Ku, B. | Deposit date: | 2020-08-25 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.081 Å) | Cite: | Structural and Biochemical Characterization of the Two Drosophila Low Molecular Weight-Protein Tyrosine Phosphatases DARP and Primo-1. Mol.Cells, 43, 2020
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6WG7
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![BU of 6wg7 by Molmil](/molmil-images/mine/6wg7) | Coordinates of NanR dimer fitted in Hexameric NanR-DNA hetero-complex cryo-EM map | Descriptor: | DNA (35-MER), HTH-type transcriptional repressor NanR | Authors: | Hariprasad, V, Horne, C, Santosh, P, Amy, H, Emre, B, Rachel, N, Michael, G, Georg, R, Borries, D, Renwick, D. | Deposit date: | 2020-04-05 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | Mechanism of NanR gene repression and allosteric induction of bacterial sialic acid metabolism. Nat Commun, 12, 2021
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6WFQ
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![BU of 6wfq by Molmil](/molmil-images/mine/6wfq) | NanR dimer-DNA hetero-complex | Descriptor: | DNA (5'-D(P*GP*GP*TP*AP*TP*AP*AP*CP*AP*GP*GP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*CP*CP*TP*GP*TP*TP*AP*TP*AP*CP*C)-3'), HTH-type transcriptional repressor NanR | Authors: | Hariprasad, V, Horne, C, Santosh, P, Amy, H, Emre, B, Rachel, N, Michael, G, Georg, R, Borries, D, Renwick, D. | Deposit date: | 2020-04-03 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanism of NanR gene repression and allosteric induction of bacterial sialic acid metabolism. Nat Commun, 12, 2021
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7CL4
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![BU of 7cl4 by Molmil](/molmil-images/mine/7cl4) | The crystal structure of KanJ in complex with N-oxalylglycine | Descriptor: | Kanamycin B dioxygenase, N-OXALYLGLYCINE, NICKEL (II) ION | Authors: | Kitayama, Y, Miyanaga, A, Kudo, F, Eguchi, T. | Deposit date: | 2020-07-20 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Stepwise Post-glycosylation Modification of Sugar Moieties in Kanamycin Biosynthesis. Chembiochem, 22, 2021
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6DLF
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![BU of 6dlf by Molmil](/molmil-images/mine/6dlf) | Crystal structure of NTRI homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neurotrimin | Authors: | Ranaivoson, F.M, Turk, L.S, Ozkan, E, Montelione, G.T, Comoletti, D. | Deposit date: | 2018-06-01 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.446 Å) | Cite: | Structure of a heterodimer of neuronal cell surface proteins Structure, 2019
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7C6O
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2Z0N
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![BU of 2z0n by Molmil](/molmil-images/mine/2z0n) | Crystal structure of APPL1-BAR domain | Descriptor: | DCC-interacting protein 13-alpha | Authors: | Murayama, K, Kato-Murayama, M, Sakamoto, A, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-07 | Release date: | 2008-05-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of APPL1-BAR domain To be Published
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