8FDO
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![BU of 8fdo by Molmil](/molmil-images/mine/8fdo) | SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058 | Descriptor: | DH1058 Heavy chain, DH1058 Light chain, FP15 | Authors: | Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L. | Deposit date: | 2022-12-04 | Release date: | 2023-10-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes. Nat Commun, 14, 2023
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4RWQ
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![BU of 4rwq by Molmil](/molmil-images/mine/4rwq) | Crystal structure of the apo-state of porcine OAS1 | Descriptor: | 2'-5'-oligoadenylate synthase 1 | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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1F4J
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![BU of 1f4j by Molmil](/molmil-images/mine/1f4j) | STRUCTURE OF TETRAGONAL CRYSTALS OF HUMAN ERYTHROCYTE CATALASE | Descriptor: | CATALASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Safo, M.K, Musayev, F.N, Wu, S.H, Abraham, D.J, Ko, T.P. | Deposit date: | 2000-06-07 | Release date: | 2000-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of tetragonal crystals of human erythrocyte catalase. Acta Crystallogr.,Sect.D, 57, 2001
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6P9O
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8FRR
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![BU of 8frr by Molmil](/molmil-images/mine/8frr) | Wild-type myocilin olfactomedin domain | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | Authors: | Ma, M.T, Lieberman, R.L, Huard, D.J.E. | Deposit date: | 2023-01-08 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller. Nat Commun, 15, 2024
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6PC7
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![BU of 6pc7 by Molmil](/molmil-images/mine/6pc7) | E. coli 50S ribosome bound to compound 46 | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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5OGT
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1FQ4
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![BU of 1fq4 by Molmil](/molmil-images/mine/1fq4) | CRYSTAL STRUCTURE OF A COMPLEX BETWEEN HYDROXYETHYLENE INHIBITOR CP-108,420 AND YEAST ASPARTIC PROTEINASE A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide, SACCHAROPEPSIN, ... | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | Deposit date: | 2000-09-03 | Release date: | 2000-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity. J.Mol.Biol., 303, 2000
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6PFC
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![BU of 6pfc by Molmil](/molmil-images/mine/6pfc) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.689 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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5OO0
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![BU of 5oo0 by Molmil](/molmil-images/mine/5oo0) | Cdk2(WT) covalent adduct with D28 at C177 | Descriptor: | Cyclin-dependent kinase 2, methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2017-08-04 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery. Angew. Chem. Int. Ed. Engl., 57, 2018
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6PC8
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![BU of 6pc8 by Molmil](/molmil-images/mine/6pc8) | E. coli 50S ribosome bound to compound 40q | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6PPU
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![BU of 6ppu by Molmil](/molmil-images/mine/6ppu) | Cryo-EM structure of AdnAB-AMPPNP-DNA complex | Descriptor: | ATP-dependent DNA helicase (UvrD/REP), DNA (29-MER), IRON/SULFUR CLUSTER, ... | Authors: | Jia, N, Unciuleac, M, Shuman, S, Patel, D.J. | Deposit date: | 2019-07-08 | Release date: | 2019-11-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection. Proc.Natl.Acad.Sci.USA, 116, 2019
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8FKF
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![BU of 8fkf by Molmil](/molmil-images/mine/8fkf) | |
8FKD
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![BU of 8fkd by Molmil](/molmil-images/mine/8fkd) | |
8FKG
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![BU of 8fkg by Molmil](/molmil-images/mine/8fkg) | |
8FKC
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![BU of 8fkc by Molmil](/molmil-images/mine/8fkc) | |
8FKE
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8FHE
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![BU of 8fhe by Molmil](/molmil-images/mine/8fhe) | |
8FHG
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8FHF
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4TTM
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![BU of 4ttm by Molmil](/molmil-images/mine/4ttm) | Racemic structure of kalata B1 (kB1) | Descriptor: | D-kalata B1, Kalata-B1 | Authors: | Wang, C.K, King, G.J, Craik, D.J. | Deposit date: | 2014-06-22 | Release date: | 2014-09-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9001 Å) | Cite: | Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds. Angew.Chem.Int.Ed.Engl., 53, 2014
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6PF5
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![BU of 6pf5 by Molmil](/molmil-images/mine/6pf5) | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PFF
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![BU of 6pff by Molmil](/molmil-images/mine/6pff) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanobenzoic acid. | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.982 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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5VMP
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![BU of 5vmp by Molmil](/molmil-images/mine/5vmp) | Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714 | Descriptor: | 3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | Authors: | Hosfield, D.J. | Deposit date: | 2017-04-28 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, 8, 2017
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5VW1
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![BU of 5vw1 by Molmil](/molmil-images/mine/5vw1) | Crystal structure of SpyCas9-sgRNA-AcrIIA4 ternary complex | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, H, Patel, D.J. | Deposit date: | 2017-05-21 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Inhibition Mechanism of an Anti-CRISPR Suppressor AcrIIA4 Targeting SpyCas9. Mol. Cell, 67, 2017
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