8PIQ
 
 | | Crystal Structure of BRD4-BD1 with BI894999 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | Authors: | Kessler, D. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.117 Å) | | Cite: | Crystal Structure of BRD4-BD1 with BI894999
To Be Published
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6SGB
 | | mt-SSU assemblosome of Trypanosoma brucei | | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2019-08-03 | | Release date: | 2019-09-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
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7XN9
 | | Crystal structure of SSTR2 and L-054,522 complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Somatostatin receptor type 2,Endo-1,4-beta-xylanase, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate | | Authors: | Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q. | | Deposit date: | 2022-04-28 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
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2NVZ
 | | RNA Polymerase II elongation complex with UTP, updated 11/2006 | | Descriptor: | 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ... | | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
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6SRX
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021158 | | Descriptor: | ACETATE ION, CHLORIDE ION, Fab C0021158 heavy chain (IgG1), ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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2NUB
 | | Structure of Aquifex aeolicus Argonuate | | Descriptor: | Argonaute | | Authors: | Rashid, U.J, Paterok, D, Koglin, A, Gohlke, H, Piehler, J, Chen, J.C.-H. | | Deposit date: | 2006-11-09 | | Release date: | 2007-02-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of Aquifex aeolicus argonaute highlights conformational flexibility of the PAZ domain as a potential regulator of RNA-induced silencing complex function.
J.Biol.Chem., 282, 2007
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3K7A
 | | Crystal Structure of an RNA polymerase II-TFIIB complex | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Liu, X, Bushnell, D.A, Wang, D, Calero, G, Kornberg, R.D. | | Deposit date: | 2009-10-12 | | Release date: | 2009-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of an RNA polymerase II-TFIIB complex and the transcription initiation mechanism.
Science, 327, 2010
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2NY0
 | | HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, T257S, V275C, S334A, S375W, A433M) Complexed with CD4 and Antibody 17b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | | Deposit date: | 2006-11-20 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
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8POA
 | | Structure of Coxsackievirus A16 (G-10) 2A protease | | Descriptor: | GLYCEROL, Protease 2A, ZINC ION | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-04 | | Release date: | 2023-08-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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6SYM
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8PIV
 | | Homomeric GluA2 flip R/G-unedited Q/R-edited F231A mutant in tandem with TARP gamma-2, desensitized conformation 1 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor, ... | | Authors: | Zhang, D, Krieger, J.M, Yamashita, K, Greger, I.H. | | Deposit date: | 2023-06-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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8PRX
 | | Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2023-07-12 | | Release date: | 2023-08-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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6SV1
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2ODB
 | | The crystal structure of human cdc42 in complex with the CRIB domain of human p21-activated kinase 6 (PAK6) | | Descriptor: | CHLORIDE ION, Human Cell Division Cycle 42 (CDC42), MAGNESIUM ION, ... | | Authors: | Ugochukwu, E, Yang, X, Elkins, J, Soundararajan, M, Pike, A.C.W, Eswaran, J, Burgess, N, Debreczeni, J.E, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Gileadi, O, von Delft, F, Knapp, S, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-22 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of human cdc42 in complex with the CRIB domain of human p21-activated kinase 6 (PAK6)
To be Published
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8Q2M
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6SZL
 | | Crystal structure of YTHDC1 with fragment 7 (DHU_DC1_021) | | Descriptor: | 6-phenyl-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-02 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6SZQ
 | | Crystal structure of human DDAH-1 | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | | Authors: | Hennig, S, Vetter, I.R, Schade, D. | | Deposit date: | 2019-10-02 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.412 Å) | | Cite: | Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1).
J.Med.Chem., 63, 2020
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6T09
 | | Crystal structure of YTHDC1 with fragment 24 (PSI_DC1_003) | | Descriptor: | SULFATE ION, YTHDC1, ~{N}-pyridin-3-ylethanamide | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-02 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6T0Z
 | | Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005) | | Descriptor: | SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6SZ1
 | | Crystal structure of YTHDC1 with fragment 2 (DHU_DC1_140) | | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methylquinazolin-4-amine | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-01 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6T05
 | | Crystal structure of YTHDC1 with fragment 18 (DHU_DC1_048) | | Descriptor: | 2-(phenylmethyl)imidazolidine, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-02 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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3J5Y
 | | Structure of the mammalian ribosomal pre-termination complex associated with eRF1-eRF3-GDPNP | | Descriptor: | 5'-R(*AP*UP*UP*GP*UP*AP*AP*AP*AP*A)-3', Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, Eukaryotic peptide chain release factor subunit 1, ... | | Authors: | des Georges, A, Hashem, Y, Unbehaun, A, Grassucci, R.A, Taylor, D, Hellen, C.U.T, Pestova, T.V, Frank, J. | | Deposit date: | 2013-11-21 | | Release date: | 2013-12-25 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (9.7 Å) | | Cite: | Structure of the mammalian ribosomal pre-termination complex associated with eRF1*eRF3*GDPNP.
Nucleic Acids Res., 42, 2014
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6T0D
 | | Crystal structure of YTHDC1 with fragment 27 (DHU_DC1_256) | | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-02 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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7XAR
 | | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | | Descriptor: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | | Deposit date: | 2022-03-18 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
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6T10
 | | Crystal structure of YTHDC1 with fragment 28 (DHU_DC1_176) | | Descriptor: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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