5NHY
 
 | | BAY-707 in complex with MTH1 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SULFATE ION, ... | | Authors: | Ellermann, M, Eheim, A, Giese, A, Bunse, S, Nowak-Reppel, K, Neuhaus, R, Weiske, J, Quanz, M, Glasauer, A, Meyer, H, Queisser, N, Irlbacher, H, Bader, B, Rahm, F, Viklund, J, Andersson, M, Ericsson, U, Ginman, T, Forsblom, R, Lindstrom, J, Silvander, C, Tresaugues, L, Gorjanacz, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.
ACS Chem. Biol., 12, 2017
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5HZW
 | | Crystal structure of the orphan region of human endoglin/CD105 in complex with BMP9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Growth/differentiation factor 2, Maltose-binding periplasmic protein,Endoglin, ... | | Authors: | Bokhove, M, Saito, T, Jovine, L. | | Deposit date: | 2016-02-03 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4.451 Å) | | Cite: | Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
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5JEE
 | | Apo-structure of humanised RadA-mutant humRadA26F | | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA | | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2016-04-18 | | Release date: | 2016-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
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2VEB
 | | High resolution structure of protoglobin from Methanosarcina acetivorans C2A | | Descriptor: | GLYCEROL, OXYGEN MOLECULE, PHOSPHATE ION, ... | | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | | Deposit date: | 2007-10-18 | | Release date: | 2008-01-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity.
Embo Rep., 9, 2008
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5E46
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1CYQ
 | | INTRON ENCODED HOMING ENDONUCLEASE I-PPOI (H98A)/DNA HOMING SITE COMPLEX | | Descriptor: | 5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3', INTRON-ENCODED HOMING ENDONUCLEASE I-PPOI, MAGNESIUM ION, ... | | Authors: | Galburt, E.A, Chevalier, B, Jurica, M.S, Flick, K.E, Stoddard, B.L. | | Deposit date: | 1999-08-31 | | Release date: | 1999-11-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A novel endonuclease mechanism directly visualized for I-PpoI.
Nat.Struct.Biol., 6, 1999
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6NZ2
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6WEK
 | | Structure of cGMP-bound WT TAX-4 reconstituted in lipid nanodiscs | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ... | | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | Deposit date: | 2020-04-02 | | Release date: | 2020-06-03 | | Last modified: | 2020-07-22 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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5NIQ
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7UHO
 | | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (500 ms Snapshot) | | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-03-27 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
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6WGV
 | | Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to adenosylcobalamin and PPPi | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ... | | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | | Deposit date: | 2020-04-06 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 .
Proc.Natl.Acad.Sci.USA, 117, 2020
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8PBO
 | | Deep interactome learning for generative drug design | | Descriptor: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Hakansson, M, Focht, D, Atz, K, Schneider, G. | | Deposit date: | 2023-06-09 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
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8HE5
 | | RNA polymerase II elongation complex bound with Rad26 and Elf1, stalled at SHL(-3.5) of the nucleosome | | Descriptor: | DNA (198-MER), DNA repair protein, DNA-directed RNA polymerase subunit, ... | | Authors: | Osumi, K, Kujirai, T, Ehara, H, Kinoshita, C, Saotome, M, Kagawa, W, Sekine, S, Takizawa, Y, Kurumizaka, H. | | Deposit date: | 2022-11-07 | | Release date: | 2023-07-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (6.95 Å) | | Cite: | Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome.
J.Mol.Biol., 435, 2023
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8OYU
 | | Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '2 up 1 down' RBD conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ... | | Authors: | Weckener, M, Naismith, J.H, Owens, R.J. | | Deposit date: | 2023-05-05 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
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8H0I
 | | Cryo-EM structure of APOBEC3G-Vif complex | | Descriptor: | APOBEC3G, CHLORIDE ION, Core binding factor beta, ... | | Authors: | Kouno, T, Shibata, S, Hyun, J, Kim, T.G, Wolf, M. | | Deposit date: | 2022-09-29 | | Release date: | 2023-07-19 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insights into RNA bridging between HIV-1 Vif and antiviral factor APOBEC3G.
Nat Commun, 14, 2023
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8P34
 | | Tau filaments extracted from human brain with the DeltaK281 mutation in MAPT | | Descriptor: | Microtubule-associated protein tau | | Authors: | Schweighauser, M, Garringer, H.J, Klingstedt, T, Masuda-Suzukake, M, Murrell, J.R, Vidal, R, Scheres, S.H.W, Goedert, M, Ghetti, B, Newell, K.L. | | Deposit date: | 2023-05-17 | | Release date: | 2023-07-05 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Mutation ∆K281 in MAPT causes Pick's disease.
Acta Neuropathol, 146, 2023
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8PCR
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 750 ms | | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | Deposit date: | 2023-06-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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8Y6C
 | | Norovirus GII.10 P domain and 2'-FL (powder) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GII.10 norovirus P domain in complex with 2'FL (powder), ... | | Authors: | Hansman, G, Tame, J.R.H, Kher, G, Pancera, M. | | Deposit date: | 2024-02-02 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Norovirus GII.10 P domain and 2'-FL (powder)
To Be Published
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8HC9
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ... | | Authors: | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | Deposit date: | 2022-11-01 | | Release date: | 2023-01-25 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (6.03 Å) | | Cite: | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC2
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, ... | | Authors: | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | Deposit date: | 2022-11-01 | | Release date: | 2023-01-25 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (6.21 Å) | | Cite: | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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5IX5
 | | NMR structure of antibacterial factor-2 | | Descriptor: | Antibacterial factor-related peptide 2 | | Authors: | Masakatsu, K, Umetsu, Y, Rumi, F, Kikukawa, T, Ohki, S, Mizuguchi, M, Demura, M, Aizawa, T. | | Deposit date: | 2016-03-23 | | Release date: | 2017-03-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR structure of ABF-2 (antibacterial factor-2) from C. elegans and the interaction with membrane mimetic systems
To Be Published
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8CJM
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047 | | Descriptor: | 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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6S58
 | | AvaII restriction endonuclease in the absence of nucleic acids | | Descriptor: | CALCIUM ION, Type II site-specific deoxyribonuclease, UNKNOWN ATOM OR ION | | Authors: | Kisiala, M, Kowalska, M, Korza, H, Czapinska, H, Bochtler, M. | | Deposit date: | 2019-06-30 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation.
Nucleic Acids Res., 48, 2020
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2VD6
 | | Human adenylosuccinate lyase in complex with its substrate N6-(1,2- Dicarboxyethyl)-AMP, and its products AMP and fumarate. | | Descriptor: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, ... | | Authors: | Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-30 | | Release date: | 2007-10-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human Adenylosuccinate Lyase in Complex with its Substrate N6-(1,2-Dicarboxyethyl)-AMP, and its Products AMP and Fumarate.
To be Published
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7PON
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