4XML
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![BU of 4xml by Molmil](/molmil-images/mine/4xml) | Crystal structure of Fab of HIV-1 gp120 V3-specific human monoclonal antibody 2424 | Descriptor: | Heavy chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424, Light chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424 | Authors: | Pan, R, Kong, X.-P. | Deposit date: | 2015-01-14 | Release date: | 2015-07-08 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL. J.Virol., 89, 2015
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6VFF
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![BU of 6vff by Molmil](/molmil-images/mine/6vff) | Dimer of Human Adenosine Deaminase Acting on dsRNA (ADAR2) mutant E488Q bound to dsRNA sequence derived from human GLI1 gene | Descriptor: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5-R(*GP*CP*UP*CP*GP*CP*GP*AP*UP*GP*CP*UP*(8AZ)P*GP*AP*GP*GP*GP*CP* UP*CP*UP*GP*AP*UP*AP*GP*CP*UP*AP*CP*G)-3), ... | Authors: | Thuy-boun, A.S, Fisher, A.J, Beal, P.A. | Deposit date: | 2020-01-03 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Asymmetric dimerization of adenosine deaminase acting on RNA facilitates substrate recognition. Nucleic Acids Res., 48, 2020
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7NSE
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![BU of 7nse by Molmil](/molmil-images/mine/7nse) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, ADMA COMPLEX | Descriptor: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-01-13 | Release date: | 2002-05-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To be Published
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6MT9
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![BU of 6mt9 by Molmil](/molmil-images/mine/6mt9) | X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit with TTP, ATP, and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Thomas, W.C, Brooks, F.P, Bacik, J.P, Ando, N. | Deposit date: | 2018-10-19 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Convergent allostery in ribonucleotide reductase. Nat Commun, 10, 2019
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8G32
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![BU of 8g32 by Molmil](/molmil-images/mine/8g32) | Pro-form of a CDCL short from E. anophelis | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W. | Deposit date: | 2023-02-06 | Release date: | 2024-02-07 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Distant relatives of a eukaryotic cell-specific toxin family evolved a complement-like mechanism to kill bacteria. Nat Commun, 15, 2024
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8A5W
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![BU of 8a5w by Molmil](/molmil-images/mine/8a5w) | Crystal structure of the human phosphoserine aminotransferase (PSAT) in complex with O-phosphoserine | Descriptor: | (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B. | Deposit date: | 2022-06-16 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase. Protein Sci., 32, 2023
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7UCG
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6MSF
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![BU of 6msf by Molmil](/molmil-images/mine/6msf) | F6 APTAMER MS2 COAT PROTEIN COMPLEX | Descriptor: | PROTEIN (MS2 PROTEIN CAPSID), RNA (5'-R(*CP*AP*GP*UP*CP*AP*CP*UP*GP*G)-3'), RNA (5'-R(*CP*CP*AP*CP*AP*GP*UP*CP*AP*CP*UP*GP*GP*G)-3') | Authors: | Convery, M.A, Rowsell, S, Stonehouse, N.J, Ellington, A.D, Hirao, I, Murray, J.B, Peabody, D.S, Phillips, S.E.V, Stockley, P.G. | Deposit date: | 1998-01-06 | Release date: | 1998-07-08 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of an RNA aptamer-protein complex at 2.8 A resolution. Nat.Struct.Biol., 5, 1998
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7AZG
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![BU of 7azg by Molmil](/molmil-images/mine/7azg) | DNA polymerase sliding clamp from Escherichia coli with peptide 4 bound | Descriptor: | Beta sliding clamp, Peptide 4 | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7PNL
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![BU of 7pnl by Molmil](/molmil-images/mine/7pnl) | Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine | Descriptor: | 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide, G-guadruplex DNA (23-mer), POTASSIUM ION | Authors: | Bazzicalupi, C, Gratteri, P, Petreni, A, Nocentini, A. | Deposit date: | 2021-09-07 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine To Be Published
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6MV9
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![BU of 6mv9 by Molmil](/molmil-images/mine/6mv9) | X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit with TTP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase, ... | Authors: | Thomas, W.C, Brooks, F.P, Bacik, J.P, Ando, N. | Deposit date: | 2018-10-24 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Convergent allostery in ribonucleotide reductase. Nat Commun, 10, 2019
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7NRF
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![BU of 7nrf by Molmil](/molmil-images/mine/7nrf) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | Deposit date: | 2021-03-03 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
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7NRE
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![BU of 7nre by Molmil](/molmil-images/mine/7nre) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | Deposit date: | 2021-03-03 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
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7PSQ
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![BU of 7psq by Molmil](/molmil-images/mine/7psq) | Crystal structure of S100A4 labeled with NU074381b. | Descriptor: | (2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Krojer, T, Arruda Bezerra, G, Koekemoer, L, Bountra, C, Von Delft, F, Brennan, P, Fedorov, O. | Deposit date: | 2021-09-23 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of S100A4 labeled with NU074381b. To Be Published
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5MIQ
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![BU of 5miq by Molmil](/molmil-images/mine/5miq) | Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (60 min) | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | Deposit date: | 2016-11-29 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage. Sci Rep, 7, 2017
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7PPX
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![BU of 7ppx by Molmil](/molmil-images/mine/7ppx) | ATAD2 in complex with FragLite3 | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2021-09-15 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7AT6
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![BU of 7at6 by Molmil](/molmil-images/mine/7at6) | Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane | Descriptor: | L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ... | Authors: | Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B. | Deposit date: | 2020-10-29 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL To Be Published
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3IZY
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![BU of 3izy by Molmil](/molmil-images/mine/3izy) | Mammalian mitochondrial translation initiation factor 2 | Descriptor: | Translation initiation factor IF-2, mitochondrial, tRNA-Phe | Authors: | Yassin, A.S, Haque, E, Datta, P.P, Elmore, K, Banavali, N.K, Spremulli, L.L, Agrawal, R.K. | Deposit date: | 2011-01-19 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (10.8 Å) | Cite: | Insertion domain within mammalian mitochondrial translation initiation factor 2 serves the role of eubacterial initiation factor 1 Proc.Natl.Acad.Sci.USA, 108, 2011
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7B3I
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![BU of 7b3i by Molmil](/molmil-images/mine/7b3i) | Notum complex with ARUK3003776 | Descriptor: | 1,2-ETHANEDIOL, 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2020-12-01 | Release date: | 2021-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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8IRV
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![BU of 8irv by Molmil](/molmil-images/mine/8irv) | Dopamine Receptor D5R-Gs-Rotigotine complex | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Xu, P, Huang, S, Zhuang, Y, Mao, C, Zhang, Y, Wang, Y, Li, H, Jiang, Y, Zhang, Y, Xu, H.E. | Deposit date: | 2023-03-19 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural genomics of the human dopamine receptor system. Cell Res., 33, 2023
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7ZSO
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![BU of 7zso by Molmil](/molmil-images/mine/7zso) | human purine nucleoside phosphorylase in complex with JS-554 | Descriptor: | GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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5FRO
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![BU of 5fro by Molmil](/molmil-images/mine/5fro) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ446 (compound 4f) | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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8G0I
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8Q6B
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![BU of 8q6b by Molmil](/molmil-images/mine/8q6b) | The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Flood, R.J, Crowley, P.B. | Deposit date: | 2023-08-11 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des., 24, 2024
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7OCA
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![BU of 7oca by Molmil](/molmil-images/mine/7oca) | Resting state full-length GluA1/A2 heterotertramer in complex with TARP gamma 8 and CNIH2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | Deposit date: | 2021-04-26 | Release date: | 2021-06-09 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor. Nature, 594, 2021
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