8P9Q
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![BU of 8p9q by Molmil](/molmil-images/mine/8p9q) | Crystal structure of the metallo-beta-lactamase VIM1 with 2455 | Descriptor: | 7-[(1~{S})-1-acetyloxyethyl]-3-[3-fluoranyl-4-(sulfamoylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2455 To Be Published
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8BDE
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![BU of 8bde by Molmil](/molmil-images/mine/8bde) | Tubulin-baccatin III complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | Deposit date: | 2022-10-19 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8OV2
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7L7B
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![BU of 7l7b by Molmil](/molmil-images/mine/7l7b) | Clostridioides difficile RNAP with fidaxomicin | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Boyaci, H, Campbell, E.A, Darst, S.A, Chen, J. | Deposit date: | 2020-12-28 | Release date: | 2022-02-02 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Basis of narrow-spectrum activity of fidaxomicin on Clostridioides difficile. Nature, 604, 2022
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8PA8
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![BU of 8pa8 by Molmil](/molmil-images/mine/8pa8) | Crystal structure of the metallo-beta-lactamase VIM1 with 2551 | Descriptor: | 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2551 To Be Published
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5KYX
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![BU of 5kyx by Molmil](/molmil-images/mine/5kyx) | crystal structure of Sec23 and TANGO1 peptide1 complex | Descriptor: | Protein transport protein Sec23A, Protein transport protein Sec24D, ZINC ION | Authors: | Ma, W, Goldberg, J. | Deposit date: | 2016-07-22 | Release date: | 2016-09-07 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (3.516 Å) | Cite: | TANGO1/cTAGE5 receptor as a polyvalent template for assembly of large COPII coats. Proc.Natl.Acad.Sci.USA, 113, 2016
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5DRK
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![BU of 5drk by Molmil](/molmil-images/mine/5drk) | 2.3 Angstrom Structure of CPII, a nitrogen regulatory PII-like protein from Thiomonas intermedia K12, bound to ADP, AMP and bicarbonate. | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, ... | Authors: | Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2015-09-15 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein. J.Mol.Biol., 428, 2016
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5DS7
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![BU of 5ds7 by Molmil](/molmil-images/mine/5ds7) | 2.0 A Structure of CPII, a nitrogen regulatory PII-like protein from Thiomonas intermedia K12, bound AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Nitrogen regulatory protein P-II | Authors: | Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2015-09-17 | Release date: | 2016-09-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein. J.Mol.Biol., 428, 2016
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1HJO
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![BU of 1hjo by Molmil](/molmil-images/mine/1hjo) | ATPase domain of human heat shock 70kDa protein 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Osipiuk, J, Walsh, M.A, Freeman, B.C, Morimoto, R.I, Joachimiak, A. | Deposit date: | 1998-10-13 | Release date: | 1998-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a new crystal form of human Hsp70 ATPase domain. Acta Crystallogr.,Sect.D, 55, 1999
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1HHX
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![BU of 1hhx by Molmil](/molmil-images/mine/1hhx) | Solution structure of LNA3:RNA hybrid | Descriptor: | 5- D(*CP*+TP*GP*AP*+TP*AP*+TP*GP*C) -3, 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3 | Authors: | Petersen, M, Bondensgaard, K, Wengel, J, Jacobsen, J.P. | Deposit date: | 2000-12-29 | Release date: | 2002-05-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Locked Nucleic Acid (Lna) Recognition of RNA: NMR Solution Structures of Lna:RNA Hybrids J.Am.Chem.Soc., 124, 2002
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5DWS
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![BU of 5dws by Molmil](/molmil-images/mine/5dws) | Crystal Structure of ITCH WW3 domain in complex with TXNIP peptide | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, UNKNOWN ATOM OR ION, txnip | Authors: | Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-22 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of ITCH WW3 domain in complex with TXNIP peptide to be published
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5DZD
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![BU of 5dzd by Molmil](/molmil-images/mine/5dzd) | Crystal Structure of WW4 domain of ITCH in complex with TXNIP peptide | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-25 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal Structure of WW4 domain of ITCH in complex with TXNIP peptide To be Published
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5E1B
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![BU of 5e1b by Molmil](/molmil-images/mine/5e1b) | Crystal structure of NRMT1 in complex with SPKRIA peptide | Descriptor: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-29 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for substrate recognition by the human N-terminal methyltransferase 1. Genes Dev., 29, 2015
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5KYM
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![BU of 5kym by Molmil](/molmil-images/mine/5kym) | Crystal Structure of the 1-acyl-sn-glycerophosphate (LPA) acyltransferase, PlsC, from Thermotoga maritima | Descriptor: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, 1-acyl-sn-glycerol-3-phosphate acyltransferase, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Robertson, R.M, Yao, J, Gajewski, S, Kumar, G, Martin, E.W, Rock, C.O, White, S.W. | Deposit date: | 2016-07-21 | Release date: | 2017-07-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A two-helix motif positions the lysophosphatidic acid acyltransferase active site for catalysis within the membrane bilayer. Nat. Struct. Mol. Biol., 24, 2017
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5E1P
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![BU of 5e1p by Molmil](/molmil-images/mine/5e1p) | Ca(2+)-Calmodulin from Paramecium tetraurelia qFit disorder model | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin | Authors: | Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A. | Deposit date: | 2015-09-29 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin. Acta Crystallogr D Struct Biol, 72, 2016
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4F1S
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![BU of 4f1s by Molmil](/molmil-images/mine/4f1s) | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. Bioorg.Med.Chem.Lett., 22, 2012
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7MDN
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![BU of 7mdn by Molmil](/molmil-images/mine/7mdn) | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a | Descriptor: | Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide | Authors: | Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-04-05 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization. Nat.Chem.Biol., 18, 2022
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5L8B
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![BU of 5l8b by Molmil](/molmil-images/mine/5l8b) | Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E62A | Descriptor: | CALCIUM ION, Uncharacterized protein | Authors: | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | Deposit date: | 2016-06-07 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments. Elife, 5, 2016
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4F2K
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![BU of 4f2k by Molmil](/molmil-images/mine/4f2k) | Macrophage Migration Inhibitory Factor covalently complexed with phenethylisothiocyanate | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ... | Authors: | Tyndall, J.D.A, Bernhagen, J, Hampton, M.B, Wilbanks, S.M, Rutledge, M.T. | Deposit date: | 2012-05-08 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Macrophage migration inhibitory factor covalently complexed with phenethyl isothiocyanate Acta Crystallogr.,Sect.F, 68, 2012
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5LA8
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3AML
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![BU of 3aml by Molmil](/molmil-images/mine/3aml) | Structure of the Starch Branching Enzyme I (BEI) from Oryza sativa L | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Kakuta, Y, Chaen, K, Noguchi, J, Vu, N, Kimura, M. | Deposit date: | 2010-08-20 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the branching enzyme I (BEI) from Oryza sativa L with implications for catalysis and substrate binding. Glycobiology, 21, 2011
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5E5W
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![BU of 5e5w by Molmil](/molmil-images/mine/5e5w) | Hemagglutinin-esterase-fusion mutant structure of influenza D virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | Authors: | Song, H, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-10-09 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism PLoS Pathog., 12, 2016
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1HPT
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5E3D
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![BU of 5e3d by Molmil](/molmil-images/mine/5e3d) | Crystal structure of the human BRPF1 bromodomain in complex with SEED7 | Descriptor: | 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, NITRATE ION, Peregrin | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-10-02 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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1TAQ
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![BU of 1taq by Molmil](/molmil-images/mine/1taq) | STRUCTURE OF TAQ DNA POLYMERASE | Descriptor: | 2-O-octyl-beta-D-glucopyranose, TAQ DNA POLYMERASE, ZINC ION | Authors: | Kim, Y, Eom, S.H, Wang, J, Lee, D.-S, Suh, S.W, Steitz, T.A. | Deposit date: | 1996-06-04 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Thermus aquaticus DNA polymerase. Nature, 376, 1995
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