4OY3
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2Y3L
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![BU of 2y3l by Molmil](/molmil-images/mine/2y3l) | Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 2 | Descriptor: | AMYLOID BETA A4 PROTEIN | Authors: | Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2010-12-21 | Release date: | 2011-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis for Amyloid-{Beta} Polymorphism. Proc.Natl.Acad.Sci.USA, 108, 2011
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6REO
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![BU of 6reo by Molmil](/molmil-images/mine/6reo) | Crystal structure of 3fPizza6-SH with Sulphate ion | Descriptor: | 3fPizza6-SH, SULFATE ION | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Artificial beta-Propeller Protein-based Hydrolases To Be Published
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6X74
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![BU of 6x74 by Molmil](/molmil-images/mine/6x74) | Rev1 Mg2+-facilitated Product Complex with no monophosphates | Descriptor: | CHLORIDE ION, DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*C*)-3'), DNA (5'-D(P*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Weaver, T.M, Freudenthal, B.D. | Deposit date: | 2020-05-29 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Visualizing Rev1 catalyze protein-template DNA synthesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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3UH1
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![BU of 3uh1 by Molmil](/molmil-images/mine/3uh1) | Crystal Structure of Saccharopine Dehydrogenase from Saccharomyces cerevisiae with bound saccharopine and NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID, ... | Authors: | Kumar, V.P, Thomas, L.M, Bobyk, K.D, Andi, B, West, A.H, Cook, P.F. | Deposit date: | 2011-11-03 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Evidence in Support of Lysine 77 and Histidine 96 as Acid-Base Catalytic Residues in Saccharopine Dehydrogenase from Saccharomyces cerevisiae. Biochemistry, 51, 2012
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2XGY
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![BU of 2xgy by Molmil](/molmil-images/mine/2xgy) | Complex of Rabbit Endogenous Lentivirus (RELIK)Capsid with Cyclophilin A | Descriptor: | GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, RELIK CAPSID N-TERMINAL DOMAIN | Authors: | Goldstone, D.C, Robertson, L.E, Haire, L.F, Stoye, J.P, Taylor, I.A. | Deposit date: | 2010-06-08 | Release date: | 2010-09-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Analysis of Prehistoric Lentiviruses Uncovers an Ancient Molecular Interface. Cell Host Microbe, 8, 2010
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2XO1
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![BU of 2xo1 by Molmil](/molmil-images/mine/2xo1) | xpt-pbuX C74U Riboswitch from B. subtilis bound to N6-methyladenine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | Deposit date: | 2010-08-09 | Release date: | 2011-04-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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2XBN
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![BU of 2xbn by Molmil](/molmil-images/mine/2xbn) | Inhibition of the PLP-dependent enzyme serine palmitoyltransferase by cycloserine: evidence for a novel decarboxylative mechanism of inactivation | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, MAGNESIUM ION, SERINE PALMITOYLTRANSFERASE | Authors: | Lowther, J, Yard, B.A, Johnson, K.A, Carter, L.G, Bhat, V.T, Raman, M.C.C, Clarke, D.J, Ramakers, B, McMahon, S.A, Naismith, J.H, Campopiano, D.J. | Deposit date: | 2010-04-13 | Release date: | 2010-05-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibition of the Plp-Dependent Enzyme Serine Palmitoyltransferase by Cycloserine: Evidence for a Novel Decarboxylative Mechanism of Inactivation. Mol.Biosystems, 6, 2010
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8SKB
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![BU of 8skb by Molmil](/molmil-images/mine/8skb) | Crystal Structure of GDP-mannose 3,5 epimerase de Myrciaria dubia in complex with NAD | Descriptor: | GDP-mannose 3,5 epimerase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | Deposit date: | 2023-04-19 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu. J.Exp.Bot., 75, 2024
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6XGU
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![BU of 6xgu by Molmil](/molmil-images/mine/6xgu) | Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | Descriptor: | GLYCEROL, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-18 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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5DQC
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![BU of 5dqc by Molmil](/molmil-images/mine/5dqc) | Co-crystal of BACE1 with compound 0211 | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | Deposit date: | 2015-09-14 | Release date: | 2016-02-17 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.4651 Å) | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes. Chem Sci, 7, 2016
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6RD1
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![BU of 6rd1 by Molmil](/molmil-images/mine/6rd1) | Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid | Descriptor: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase | Authors: | Owen, C.D, Bell, A, Juge, N, Walsh, M.A. | Deposit date: | 2019-04-12 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut. Nat Microbiol, 4, 2019
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1HMA
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![BU of 1hma by Molmil](/molmil-images/mine/1hma) | THE SOLUTION STRUCTURE AND DYNAMICS OF THE DNA BINDING DOMAIN OF HMG-D FROM DROSOPHILA MELANOGASTER | Descriptor: | HMG-D | Authors: | Jones, D.N.M, Searles, M.A, Shaw, G.L, Churchill, M.E.A, Ner, S.S, Keeler, J, Travers, A.A, Neuhaus, D. | Deposit date: | 1994-05-12 | Release date: | 1994-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure and dynamics of the DNA-binding domain of HMG-D from Drosophila melanogaster. Structure, 2, 1994
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8SBH
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![BU of 8sbh by Molmil](/molmil-images/mine/8sbh) | YeiE effector binding domain from E. coli | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E. | Deposit date: | 2023-04-03 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms To Be Published
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1HUK
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4F8P
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![BU of 4f8p by Molmil](/molmil-images/mine/4f8p) | X-ray structure of PsaA from Yersinia pestis, in complex with galactose | Descriptor: | ACETATE ION, TERT-BUTYL FORMATE, beta-D-galactopyranose, ... | Authors: | Bao, R, Esser, L, Xia, D. | Deposit date: | 2012-05-17 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis. Proc.Natl.Acad.Sci.USA, 110, 2013
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1HSY
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4F8L
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![BU of 4f8l by Molmil](/molmil-images/mine/4f8l) | X-ray structure of PsaA from Yersinia pestis, in complex with galactose and AEBSF | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, BROMIDE ION, GLYCINE, ... | Authors: | Bao, R, Esser, L, Xia, D. | Deposit date: | 2012-05-17 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis. Proc.Natl.Acad.Sci.USA, 110, 2013
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2GE5
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2G9B
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![BU of 2g9b by Molmil](/molmil-images/mine/2g9b) | NMR solution structure of CA2+-loaded calbindin D28K | Descriptor: | Calbindin | Authors: | Kojetin, D.J, Venters, R.A, Kordys, D.R, Thompson, R.J, Kumar, R, Cavanagh, J. | Deposit date: | 2006-03-06 | Release date: | 2006-07-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure, binding interface and hydrophobic transitions of Ca(2+)-loaded calbindin-D(28K). Nat.Struct.Mol.Biol., 13, 2006
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5DIY
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![BU of 5diy by Molmil](/molmil-images/mine/5diy) | Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F. | Deposit date: | 2015-09-01 | Release date: | 2015-10-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum. J.Biol.Chem., 290, 2015
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2FMN
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![BU of 2fmn by Molmil](/molmil-images/mine/2fmn) | Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase complex with LY309887 | Descriptor: | 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC ACID | Authors: | Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L. | Deposit date: | 2006-01-09 | Release date: | 2006-04-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation Biochemistry, 45, 2006
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5DHG
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![BU of 5dhg by Molmil](/molmil-images/mine/5dhg) | The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ... | Authors: | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2015-08-30 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. Structure, 23, 2015
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1VRP
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![BU of 1vrp by Molmil](/molmil-images/mine/1vrp) | The 2.1 Structure of T. californica Creatine Kinase Complexed with the Transition-State Analogue Complex, ADP-Mg 2+ /NO3-/Creatine | Descriptor: | (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Creatine Kinase, ... | Authors: | Lahiri, S.D, Wang, P.F, Babbitt, P.C, McLeish, M.J, Kenyon, G.L, Allen, K.N. | Deposit date: | 2005-04-25 | Release date: | 2005-05-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 A Structure of Torpedo californica Creatine Kinase Complexed with the ADP-Mg(2+)-NO3(-)-Creatine Transition-State Analogue Complex Biochemistry, 41, 2002
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6QX1
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![BU of 6qx1 by Molmil](/molmil-images/mine/6qx1) | 2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA. | Descriptor: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | Authors: | Bax, B.D. | Deposit date: | 2019-03-06 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase. Bioorg.Med.Chem.Lett., 29, 2019
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