6ZE3
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![BU of 6ze3 by Molmil](/molmil-images/mine/6ze3) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment (4-methoxycarbonylphenyl)methylazanium | Descriptor: | (4-methoxycarbonylphenyl)methylazanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2020-06-16 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
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1BT5
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![BU of 1bt5 by Molmil](/molmil-images/mine/1bt5) | CRYSTAL STRUCTURE OF THE IMIPENEM INHIBITED TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, PROTEIN (BETA-LACTAMASE), SULFATE ION | Authors: | Maveyraud, L, Mourey, L, Pedelacq, J.D, Guillet, V, Kotra, L.K, Mobashery, S, Samama, J.P. | Deposit date: | 1998-09-02 | Release date: | 1999-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Clinical Longevity of Carbapenem Antibiotics in the Face of Challenge by the Common Class A Beta-Lactamases from Antibiotic-Resistant Bacteria J.Am.Chem.Soc., 120, 1998
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6WVS
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![BU of 6wvs by Molmil](/molmil-images/mine/6wvs) | Hyperstable de novo TIM barrel variant DeNovoTIM15 | Descriptor: | DeNovoTIM15 hyperstable de novo TIM barrel | Authors: | Bick, M.J, Haydon, I.C, Caldwell, S.J, Zeymer, C, Huang, P, Fernandez-Velasco, D.A, Baker, D. | Deposit date: | 2020-05-06 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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1G86
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![BU of 1g86 by Molmil](/molmil-images/mine/1g86) | CHARCOT-LEYDEN CRYSTAL PROTEIN/N-ETHYLMALEIMIDE COMPLEX | Descriptor: | CHARCOT-LEYDEN CRYSTAL PROTEIN, N-ETHYLMALEIMIDE | Authors: | Ackerman, S.J, Liu, L, Kwatia, M.A, Savage, M.P, Leonidas, D.D, Swaminathan, G.J, Acharya, K.R. | Deposit date: | 2000-11-16 | Release date: | 2002-06-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Charcot-Leyden crystal protein (galectin-10) is not a dual function galectin with lysophospholipase activity but binds a lysophospholipase inhibitor in a novel structural fashion. J.Biol.Chem., 277, 2002
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7AKA
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![BU of 7aka by Molmil](/molmil-images/mine/7aka) | Structure of DYRK1A in complex with compound 54 | Descriptor: | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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2WFU
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![BU of 2wfu by Molmil](/molmil-images/mine/2wfu) | Crystal structure of DILP5 variant DB | Descriptor: | PROBABLE INSULIN-LIKE PEPTIDE 5 A CHAIN, PROBABLE INSULIN-LIKE PEPTIDE 5 B CHAIN | Authors: | Kulahin, N, Schluckebier, G, Sajid, W, De Meyts, P. | Deposit date: | 2009-04-15 | Release date: | 2010-05-26 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biological Properties of the Drosophila Insulin-Like Peptide 5 Show Evolutionary Conservation. J.Biol.Chem., 286, 2011
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7AK2
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![BU of 7ak2 by Molmil](/molmil-images/mine/7ak2) | Structure of DYRK1A in complex with compound 53 | Descriptor: | 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-29 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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6BT2
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![BU of 6bt2 by Molmil](/molmil-images/mine/6bt2) | Structure of the human Nocturnin catalytic domain with bound sulfate anion | Descriptor: | MAGNESIUM ION, Nocturnin, SULFATE ION | Authors: | Abshire, E.T, Chasseur, J, Del Rizzo, P, Trievel, R. | Deposit date: | 2017-12-04 | Release date: | 2018-05-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | The structure of human Nocturnin reveals a conserved ribonuclease domain that represses target transcript translation and abundance in cells. Nucleic Acids Res., 46, 2018
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4WVI
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![BU of 4wvi by Molmil](/molmil-images/mine/4wvi) | Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep2). | Descriptor: | Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, substrate peptide (pep2) | Authors: | Young, P.G, Ting, Y.T, Baker, E.N. | Deposit date: | 2014-11-05 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization. IUCrJ, 3, 2016
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4YQ1
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![BU of 4yq1 by Molmil](/molmil-images/mine/4yq1) | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | To Be Published To be published
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6BNU
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![BU of 6bnu by Molmil](/molmil-images/mine/6bnu) | |
2XCJ
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![BU of 2xcj by Molmil](/molmil-images/mine/2xcj) | Crystal structure of P2 C, the immunity repressor of temperate E. coli phage P2 | Descriptor: | C PROTEIN, FORMIC ACID, GLYCEROL, ... | Authors: | Massad, T, Skaar, K, Hogbom, M, Stenmark, P. | Deposit date: | 2010-04-23 | Release date: | 2010-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the P2 C-Repressor: A Binder of Non-Palindromic Direct DNA Repeats. Nucleic Acids Res., 38, 2010
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3KRF
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![BU of 3krf by Molmil](/molmil-images/mine/3krf) | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (I) | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | Deposit date: | 2009-11-18 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
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4ADV
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![BU of 4adv by Molmil](/molmil-images/mine/4adv) | Structure of the E. coli methyltransferase KsgA bound to the E. coli 30S ribosomal subunit | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Boehringer, D, O'Farrell, H.C, Rife, J.P, Ban, N. | Deposit date: | 2012-01-03 | Release date: | 2012-02-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (13.5 Å) | Cite: | Structural Insights Into Methyltransferase Ksga Function in 30S Ribosomal Subunit Biogenesis J.Biol.Chem., 287, 2012
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1GH1
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![BU of 1gh1 by Molmil](/molmil-images/mine/1gh1) | NMR STRUCTURES OF WHEAT NONSPECIFIC LIPID TRANSFER PROTEIN | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN | Authors: | Gincel, E, Simorre, J.P, Caille, A, Marion, D, Ptak, M, Vovelle, F. | Deposit date: | 2000-10-29 | Release date: | 2000-11-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure in solution of a wheat lipid-transfer protein from multidimensional 1H-NMR data. A new folding for lipid carriers. Eur.J.Biochem., 226, 1994
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1TTT
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![BU of 1ttt by Molmil](/molmil-images/mine/1ttt) | Phe-tRNA, elongation factoR EF-TU:GDPNP ternary complex | Descriptor: | MAGNESIUM ION, OF ELONGATION FACTOR TU (EF-TU), PHENYLALANINE, ... | Authors: | Nissen, P, Kjeldgaard, M, Thirup, S, Polekhina, G, Reshetnikova, L, Clark, B.F.C, Nyborg, J. | Deposit date: | 1995-11-16 | Release date: | 1996-12-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the ternary complex of Phe-tRNAPhe, EF-Tu, and a GTP analog. Science, 270, 1995
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6WEP
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![BU of 6wep by Molmil](/molmil-images/mine/6wep) | Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site | Descriptor: | Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Czyzyk, D.J, Ruiz, V.G, Kumar, V.P, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-04-02 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitor Bioorg.Med.Chem.Lett., 30, 2020
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7ASL
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4YLI
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![BU of 4yli by Molmil](/molmil-images/mine/4yli) | CL-K1 trimer | Descriptor: | CALCIUM ION, CHLORIDE ION, Collectin-11, ... | Authors: | Wallis, R, Girija, U.V, Gingras, A.R, Moody, P.C.E, Marshall, J.E. | Deposit date: | 2015-03-05 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Molecular basis of sugar recognition by collectin-K1 and the effects of mutations associated with 3MC syndrome. Bmc Biol., 13, 2015
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4JIW
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![BU of 4jiw by Molmil](/molmil-images/mine/4jiw) | c1882 PAAR-repeat protein from Escherichia coli in complex with a VgrG-like beta-helix that is based on a fragment of T4 gp5 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Putative uncharacterized protein, ... | Authors: | Buth, S.A, Leiman, P.G, Shneider, M.M. | Deposit date: | 2013-03-07 | Release date: | 2013-08-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.402 Å) | Cite: | PAAR-repeat proteins sharpen and diversify the type VI secretion system spike. Nature, 500, 2013
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7ASH
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![BU of 7ash by Molmil](/molmil-images/mine/7ash) | |
6Q88
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![BU of 6q88 by Molmil](/molmil-images/mine/6q88) | RT structure of HEWL at 5 kGy | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C | Authors: | de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M. | Deposit date: | 2018-12-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74007058 Å) | Cite: | Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QH5
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![BU of 6qh5 by Molmil](/molmil-images/mine/6qh5) | AP2 clathrin adaptor mu2T156-phosphorylated core in closed conformation | Descriptor: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | Authors: | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | Deposit date: | 2019-01-15 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation. Dev.Cell, 50, 2019
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1G66
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![BU of 1g66 by Molmil](/molmil-images/mine/1g66) | ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION | Descriptor: | ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION | Authors: | Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J. | Deposit date: | 2000-11-03 | Release date: | 2001-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A. J.Biol.Chem., 276, 2001
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4YQG
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![BU of 4yqg by Molmil](/molmil-images/mine/4yqg) | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Williams, S.P, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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