7UXP
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![BU of 7uxp by Molmil](/molmil-images/mine/7uxp) | Structure of PDL1 in complex with FP28132, a Helicon Polypeptide | Descriptor: | AMINO GROUP, FP28132, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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7U9K
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![BU of 7u9k by Molmil](/molmil-images/mine/7u9k) | Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2022-03-10 | Release date: | 2023-03-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors. Bioorg.Med.Chem., 96, 2023
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7UXI
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![BU of 7uxi by Molmil](/molmil-images/mine/7uxi) | Structure of CDK2 in complex with FP19711, a Helicon Polypeptide | Descriptor: | AMINO GROUP, Cyclin-dependent kinase 2, FP19711, ... | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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7TXR
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6NSI
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![BU of 6nsi by Molmil](/molmil-images/mine/6nsi) | Crystal structure of Fe(III)-bound YtgA from Chlamydia trachomatis | Descriptor: | CALCIUM ION, FE (III) ION, Manganese-binding protein, ... | Authors: | Luo, Z, Campbell, R, Begg, S.L, Kobe, B, McDevitt, C.A. | Deposit date: | 2019-01-24 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.00006342 Å) | Cite: | Structure and Metal Binding Properties of Chlamydia trachomatis YtgA. J.Bacteriol., 202, 2019
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8E0E
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![BU of 8e0e by Molmil](/molmil-images/mine/8e0e) | nbF3:CaV beta subunit 2a complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Nirwan, N, Minor, D.L. | Deposit date: | 2022-08-09 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective posttranslational inhibition of Ca V beta 1 -associated voltage-dependent calcium channels with a functionalized nanobody. Nat Commun, 13, 2022
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7NT1
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![BU of 7nt1 by Molmil](/molmil-images/mine/7nt1) | Crystal structure of SARS CoV2 main protease in complex with FSP007 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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6PWZ
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7UXM
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![BU of 7uxm by Molmil](/molmil-images/mine/7uxm) | Structure of PPIA in complex with FP29092, a Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ... | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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7OA3
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![BU of 7oa3 by Molmil](/molmil-images/mine/7oa3) | Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium hexammine co-crystallized form) | Descriptor: | Chili RNA Aptamer, DMHBO+, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mieczkowski, M, Pena, V, Hoebartner, C. | Deposit date: | 2021-04-19 | Release date: | 2021-06-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine. Nat Commun, 12, 2021
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8RM7
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![BU of 8rm7 by Molmil](/molmil-images/mine/8rm7) | Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: MMTV-177 GRE/ARE | Descriptor: | Isoform 2 of Androgen receptor, MMTV-177 GRE/ARE Chain C, MMTV-177 GRE/ARE, ... | Authors: | Lee, X.Y, Helsen, C, Van Eynde, W, Voet, A, Claessens, F. | Deposit date: | 2024-01-05 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural mechanism underlying variations in DNA binding by the androgen receptor. J.Steroid Biochem.Mol.Biol., 241, 2024
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7U68
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7OAW
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![BU of 7oaw by Molmil](/molmil-images/mine/7oaw) | Crystal structure of the Chili RNA aptamer in complex with DMHBI+ | Descriptor: | CHLORIDE ION, Chili RNA Aptamer, DMHBI+, ... | Authors: | Mieczkowski, M, Pena, V, Hoebartner, C. | Deposit date: | 2021-04-20 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine. Nat Commun, 12, 2021
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6BW6
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![BU of 6bw6 by Molmil](/molmil-images/mine/6bw6) | Human GPT (DPAGT1) H129 variant in complex with tunicamycin | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | Authors: | Yoo, J, Kuk, A.C.Y, Mashalidis, E.H, Lee, S.-Y. | Deposit date: | 2017-12-14 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | GlcNAc-1-P-transferase-tunicamycin complex structure reveals basis for inhibition of N-glycosylation. Nat. Struct. Mol. Biol., 25, 2018
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8RM6
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![BU of 8rm6 by Molmil](/molmil-images/mine/8rm6) | Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: C3(1)ARE | Descriptor: | C3(1)ARE_Chain C, C3(1)ARE_Chain D, Isoform 2 of Androgen receptor, ... | Authors: | Lee, X.Y, Helsen, C, Van Eynde, W, Voet, A, Claessens, F. | Deposit date: | 2024-01-05 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural mechanism underlying variations in DNA binding by the androgen receptor. J.Steroid Biochem.Mol.Biol., 241, 2024
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8DPA
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![BU of 8dpa by Molmil](/molmil-images/mine/8dpa) | Crystal structure of the homodimeric AvrM14-B Nudix hydrolase effector from Melampsora lini | Descriptor: | AvrM14-B, SULFATE ION | Authors: | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | Deposit date: | 2022-07-15 | Release date: | 2023-01-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways. New Phytol., 239, 2023
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6VWU
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7UX5
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![BU of 7ux5 by Molmil](/molmil-images/mine/7ux5) | Structure of PDL1 in complex with FP28136, a Helicon Polypeptide | Descriptor: | Helicon FP28136, N,N'-(1,4-phenylene)diacetamide, Programmed cell death 1 ligand 1 | Authors: | Agarwal, S, Li, K, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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5BZ2
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8QCK
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7NQP
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![BU of 7nqp by Molmil](/molmil-images/mine/7nqp) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009 | Descriptor: | 14-3-3 protein sigma, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-02 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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8EAZ
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![BU of 8eaz by Molmil](/molmil-images/mine/8eaz) | HOIL-1/E2-Ub/Ub transthiolation complex | Descriptor: | RanBP-type and C3HC4-type zinc finger-containing protein 1, Ubiquitin, Ubiquitin-conjugating enzyme E2 L3, ... | Authors: | Wang, X.S, Cotton, T.R, Lechtenberg, B.C. | Deposit date: | 2022-08-30 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | The unifying catalytic mechanism of the RING-between-RING E3 ubiquitin ligase family. Nat Commun, 14, 2023
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7NRL
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![BU of 7nrl by Molmil](/molmil-images/mine/7nrl) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 | Descriptor: | 14-3-3 protein sigma, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-04 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6BZF
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![BU of 6bzf by Molmil](/molmil-images/mine/6bzf) | Structure of S. cerevisiae Zip2:Spo16 complex, C2 form | Descriptor: | Protein ZIP2, Sporulation-specific protein 16 | Authors: | Arora, K, Corbett, K.D. | Deposit date: | 2017-12-23 | Release date: | 2018-02-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.286 Å) | Cite: | The conserved XPF:ERCC1-like Zip2:Spo16 complex controls meiotic crossover formation through structure-specific DNA binding. Nucleic Acids Res., 47, 2019
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6PY5
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![BU of 6py5 by Molmil](/molmil-images/mine/6py5) | |