6Q43
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![BU of 6q43 by Molmil](/molmil-images/mine/6q43) | Atomic resolution crystal structure of an ABA collagen heterotrimer | Descriptor: | GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ... | Authors: | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | Deposit date: | 2018-12-05 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Atomic resolution crystal structure of an AAB collagen heterotrimer Nat.Chem.Biol., 2019
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6IZQ
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![BU of 6izq by Molmil](/molmil-images/mine/6izq) | PRMT4 bound with a bicyclic compound | Descriptor: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | Authors: | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | Deposit date: | 2018-12-20 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
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1T6M
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![BU of 1t6m by Molmil](/molmil-images/mine/1t6m) | X-ray Structure of the R70D PI-PLC enzyme: Insight into the role of calcium and surrounding amino acids on active site geometry and catalysis. | Descriptor: | 1-phosphatidylinositol phosphodiesterase, CALCIUM ION | Authors: | Apiyo, D, Zhao, L, Tsai, M.-D, Selby, T.L. | Deposit date: | 2004-05-06 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.107 Å) | Cite: | X-ray Structure of the R69D Phosphatidylinositol-Specific Phospholipase C Enzyme: Insight into the Role of Calcium and Surrounding Amino Acids in Active Site Geometry and Catalysis. Biochemistry, 44, 2005
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2W4B
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![BU of 2w4b by Molmil](/molmil-images/mine/2w4b) | Epstein-Barr virus alkaline nuclease D203S mutant | Descriptor: | ALKALINE EXONUCLEASE | Authors: | Buisson, M, Geoui, T, Flot, D, Tarbouriech, N, Burmeister, W.P. | Deposit date: | 2008-11-24 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A Bridge Crosses the Active Site Canyon of the Epstein-Barr Virus Nuclease with DNase and Rnase Activity. J.Mol.Biol., 391, 2009
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2IYA
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![BU of 2iya by Molmil](/molmil-images/mine/2iya) | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, OLEANDOMYCIN GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2006-07-13 | Release date: | 2007-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity. Proc.Natl.Acad.Sci.USA, 104, 2007
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2W6K
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![BU of 2w6k by Molmil](/molmil-images/mine/2w6k) | The crystal structure at 1.7 A resolution of CobE, a protein from the cobalamin (vitamin B12) biosynthetic pathway | Descriptor: | COBE, GLYCEROL, SULFATE ION | Authors: | Vevodova, J, Smith, D, McGoldrick, H, Deery, E, Murzin, A.G, Warren, M.J, Wilson, K.S. | Deposit date: | 2008-12-18 | Release date: | 2008-12-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure at 1.7 A Resolution of Cobe, a Protein from the Cobalamin (Vitamin B12) Biosynthetic Pathway To be Published
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8IJR
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![BU of 8ijr by Molmil](/molmil-images/mine/8ijr) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with diacylglycerol/phosphoethanolamine | Descriptor: | (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-28 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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2W3C
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![BU of 2w3c by Molmil](/molmil-images/mine/2w3c) | Globular head region of the human general vesicular transport factor p115 | Descriptor: | DI(HYDROXYETHYL)ETHER, GENERAL VESICULAR TRANSPORT FACTOR P115 | Authors: | Striegl, H, Roske, Y, Kummel, D, Heinemann, U. | Deposit date: | 2008-11-11 | Release date: | 2009-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Unusual Armadillo Fold in the Human General Vesicular Transport Factor P115 Plos One, 4, 2009
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4RHW
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![BU of 4rhw by Molmil](/molmil-images/mine/4rhw) | Crystal structure of Apaf-1 CARD and caspase-9 CARD complex | Descriptor: | Apoptotic protease-activating factor 1, CHLORIDE ION, Caspase-9, ... | Authors: | Hu, Q, Wu, D, Yan, C, Shi, Y. | Deposit date: | 2014-10-03 | Release date: | 2014-10-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular determinants of caspase-9 activation by the Apaf-1 apoptosome. Proc. Natl. Acad. Sci. U.S.A., 111, 2014
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7T19
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![BU of 7t19 by Molmil](/molmil-images/mine/7t19) | Rev1 Ternary Complex with dGTP and Ca2+ | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Weaver, T.M. | Deposit date: | 2021-12-01 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1. Nat Commun, 13, 2022
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7T1B
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![BU of 7t1b by Molmil](/molmil-images/mine/7t1b) | Rev1 Ternary Complex with rCTP and Ca2+ | Descriptor: | CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Weaver, T.M. | Deposit date: | 2021-12-01 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1. Nat Commun, 13, 2022
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2IDR
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![BU of 2idr by Molmil](/molmil-images/mine/2idr) | Crystal structure of translation initiation factor EIF4E from wheat | Descriptor: | Eukaryotic translation initiation factor 4E-1 | Authors: | Monzingo, A.F, Sadow, J, Dhaliwal, S, Lyon, A, Hoffman, D.W, Robertus, J.D, Browning, K.S. | Deposit date: | 2006-09-15 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond. Plant Physiol., 143, 2007
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7T9G
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![BU of 7t9g by Molmil](/molmil-images/mine/7t9g) | Structure of VcINDY-Na+ | Descriptor: | DASS family sodium-coupled anion symporter, SODIUM ION | Authors: | Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N. | Deposit date: | 2021-12-19 | Release date: | 2022-05-25 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY. Nat Commun, 13, 2022
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2WF1
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![BU of 2wf1 by Molmil](/molmil-images/mine/2wf1) | Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide | Authors: | Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent. Bioorg.Med.Chem.Lett., 19, 2009
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7T18
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![BU of 7t18 by Molmil](/molmil-images/mine/7t18) | Rev1 Ternary Complex with dTTP and Ca2+ | Descriptor: | CALCIUM ION, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*G)-3'), ... | Authors: | Freudenthal, B.D, Weaver, T.M. | Deposit date: | 2021-12-01 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1. Nat Commun, 13, 2022
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7T1A
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![BU of 7t1a by Molmil](/molmil-images/mine/7t1a) | Rev1 Ternary Complex with dATP and Ca2+ | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Weaver, T.M. | Deposit date: | 2021-12-01 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1. Nat Commun, 13, 2022
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8IHE
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![BU of 8ihe by Molmil](/molmil-images/mine/8ihe) | |
2WDW
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![BU of 2wdw by Molmil](/molmil-images/mine/2wdw) | The Native Crystal Structure of the Primary Hexose Oxidase (Dbv29) in Antibiotic A40926 Biosynthesis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PUTATIVE HEXOSE OXIDASE | Authors: | Liu, Y.-C, Li, Y.-S, Lyu, S.-Y, Chen, Y.-H, Chan, H.-C, Huang, C.-J, Huang, Y.-T, Chen, G.-H, Chou, C.-C, Tsai, M.-D, Li, T.-L. | Deposit date: | 2009-03-27 | Release date: | 2010-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Interception of Teicoplanin Oxidation Intermediates Yields New Antimicrobial Scaffolds Nat.Chem.Biol., 7, 2011
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2WBW
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![BU of 2wbw by Molmil](/molmil-images/mine/2wbw) | Ad37 fibre head in complex with CAR D1 and sialic acid | Descriptor: | CALCIUM ION, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBER PROTEIN, ... | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | Deposit date: | 2009-03-05 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution. Plos Pathog., 5, 2009
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4RIK
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![BU of 4rik by Molmil](/molmil-images/mine/4rik) | Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77 | Descriptor: | Alpha-synuclein | Authors: | Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S. | Deposit date: | 2014-10-06 | Release date: | 2015-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Structure of the toxic core of alpha-synuclein from invisible crystals. Nature, 525, 2015
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4RIP
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![BU of 4rip by Molmil](/molmil-images/mine/4rip) | |
8A90
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![BU of 8a90 by Molmil](/molmil-images/mine/8a90) | Crystal structure of FrsH | Descriptor: | ACETATE ION, FE (III) ION, GLYCEROL, ... | Authors: | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | Deposit date: | 2022-06-27 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.574 Å) | Cite: | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis. Acs Chem.Biol., 18, 2023
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6PUQ
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![BU of 6puq by Molmil](/molmil-images/mine/6puq) | |
2IGW
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![BU of 2igw by Molmil](/molmil-images/mine/2igw) | CYCLOPHILIN 3 complexed with DIPEPTIDE GLY-PRO | Descriptor: | GLYCINE, PROLINE, Peptidyl-prolyl cis-trans isomerase 3 | Authors: | Kan, D. | Deposit date: | 2006-09-25 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Experimental Determination of van der Waals Energies in a Biological System. Angew.Chem.Int.Ed.Engl., 46, 2007
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1T2U
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![BU of 1t2u by Molmil](/molmil-images/mine/1t2u) | Structural basis of phosphopeptide recognition by the BRCT domain of BRCA1: structure of BRCA1 missense variant V1809F | Descriptor: | Breast cancer type 1 susceptibility protein, COBALT (II) ION, SULFATE ION | Authors: | Williams, R.S, Lee, M.S, Duong, D.D, Glover, J.N.M. | Deposit date: | 2004-04-22 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Phosphopeptide recognition by the BRCT domain of BRCA1 Nat.Struct.Mol.Biol., 11, 2004
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