1JT3
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![BU of 1jt3 by Molmil](/molmil-images/mine/1jt3) | Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Histidine Tag AND LEU 73 REPLACED BY VAL (L73V) | Descriptor: | SULFATE ION, acidic fibroblast growth factor | Authors: | Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M. | Deposit date: | 2001-08-20 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core
region of a beta-trefoil. Protein Sci., 10, 2001
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4ZJ7
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1R1B
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![BU of 1r1b by Molmil](/molmil-images/mine/1r1b) | EPRS SECOND REPEATED ELEMENT, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | TRNA SYNTHETASE | Authors: | Cahuzac, B, Berthonneau, E, Birlirakis, N, Mirande, M, Guittet, E. | Deposit date: | 1998-12-15 | Release date: | 1999-12-15 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | A recurrent RNA-binding domain is appended to eukaryotic aminoacyl-tRNA synthetases. EMBO J., 19, 2000
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3T2A
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![BU of 3t2a by Molmil](/molmil-images/mine/3t2a) | TMAO-grown cubic insulin (porcine) | Descriptor: | Insulin A chain, Insulin B chain, trimethylamine oxide | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2012-01-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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4DY8
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![BU of 4dy8 by Molmil](/molmil-images/mine/4dy8) | Interactions of Mn2+ with a non-self-complementary Z-type DNA duplex | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*TP*G)-3'), ... | Authors: | Mandal, P.K, Venkadesh, S, Gautham, N. | Deposit date: | 2012-02-28 | Release date: | 2012-11-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Interactions of Mn(2+) with a non-self-complementary Z-type DNA duplex Acta Crystallogr.,Sect.F, 68, 2012
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3T25
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![BU of 3t25 by Molmil](/molmil-images/mine/3t25) | TMAO-grown orthorhombic trypsin (bovine) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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5FDL
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![BU of 5fdl by Molmil](/molmil-images/mine/5fdl) | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | Descriptor: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | Authors: | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2015-12-16 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor. J.Med.Chem., 59, 2016
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8X3N
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8X40
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6EOJ
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![BU of 6eoj by Molmil](/molmil-images/mine/6eoj) | PolyA polymerase module of the cleavage and polyadenylation factor (CPF) from Saccharomyces cerevisiae | Descriptor: | Polyadenylation factor subunit 2,Polyadenylation factor subunit 2, Protein CFT1, ZINC ION, ... | Authors: | Casanal, A, Kumar, A, Hill, C.H, Emsley, P, Passmore, L.A. | Deposit date: | 2017-10-09 | Release date: | 2017-11-15 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Architecture of eukaryotic mRNA 3'-end processing machinery. Science, 358, 2017
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6AAY
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![BU of 6aay by Molmil](/molmil-images/mine/6aay) | the Cas13b binary complex | Descriptor: | Bergeyella zoohelcum Cas13b (R1177A) mutant, RNA (52-MER) | Authors: | Bo, Z, Weiwei, Y, Yangmiao, Y, Ouyang, S.Y. | Deposit date: | 2018-07-19 | Release date: | 2019-03-13 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural insights into Cas13b-guided CRISPR RNA maturation and recognition. Cell Res., 28, 2018
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8USS
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![BU of 8uss by Molmil](/molmil-images/mine/8uss) | IL17A complexed to Compound 7 | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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8V7G
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![BU of 8v7g by Molmil](/molmil-images/mine/8v7g) | Human DNA polymerase eta-DNA-gemC-ended primer-dAMPNPP ternary complex with Mg2+ | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*(U7B))-3'), DNA (5'-D(*CP*AP*TP*TP*GP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Chang, C, Gao, Y. | Deposit date: | 2023-12-04 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+ To Be Published
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6ARO
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6B9E
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![BU of 6b9e by Molmil](/molmil-images/mine/6b9e) | Human ATL1 mutant - R77A / F151S bound to GDP | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | O'Donnell, J.P, Sondermann, H. | Deposit date: | 2017-10-10 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem., 293, 2018
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8R1V
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![BU of 8r1v by Molmil](/molmil-images/mine/8r1v) | Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Yadrykhinsky, V, Brenk, R. | Deposit date: | 2023-11-02 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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8R0I
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![BU of 8r0i by Molmil](/molmil-images/mine/8r0i) | Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | Authors: | Yadrykhinsky, V, Brenk, R. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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6YSK
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![BU of 6ysk by Molmil](/molmil-images/mine/6ysk) | 1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum | Descriptor: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2020-04-22 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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1O3S
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![BU of 1o3s by Molmil](/molmil-images/mine/1o3s) | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | Authors: | Chen, S, Ebright, R.H, Berman, H.M. | Deposit date: | 2003-03-18 | Release date: | 2003-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: Alteration of DNA Binding Specificity Through Alteration of DNA Kinking J.Mol.Biol., 314, 2001
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6AOX
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6AS8
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6B88
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![BU of 6b88 by Molmil](/molmil-images/mine/6b88) | E. coli LepB in complex with GNE0775 ((4S,7S,10S)-10-((S)-4-amino-2-(2-(4-(tert-butyl)phenyl)-4-methylpyrimidine-5-carboxamido)-N-methylbutanamido)-16,26-bis(2-aminoethoxy)-N-(2-iminoethyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-carboxamide) | Descriptor: | (8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide, PENTAETHYLENE GLYCOL, Signal peptidase I | Authors: | Murray, J.M, Rouge, L. | Deposit date: | 2017-10-05 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | Optimized arylomycins are a new class of Gram-negative antibiotics. Nature, 561, 2018
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6ARM
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6ARN
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6Z72
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![BU of 6z72 by Molmil](/molmil-images/mine/6z72) | SARS-CoV-2 Macrodomain in complex with ADP-HPM | Descriptor: | 1,2-ETHANEDIOL, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, D-MALATE, ... | Authors: | Zorzini, V, Rack, J, Ahel, I. | Deposit date: | 2020-05-29 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential. Open Biology, 10, 2020
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