6ZPS
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7R55
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![BU of 7r55 by Molmil](/molmil-images/mine/7r55) | B-trefoil lectin from Salpingoeca rosetta in complex with Gb3 | Descriptor: | 1,2-ETHANEDIOL, Sarol-1, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Notova, S, Varrot, A. | Deposit date: | 2022-02-10 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3. Commun Biol, 5, 2022
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6DG3
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![BU of 6dg3 by Molmil](/molmil-images/mine/6dg3) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with caesium | Descriptor: | CESIUM ION, PHOSPHATE ION, Pyridinium-3,5-biscarboxylic acid mononucleotide sulfurtransferase | Authors: | Fellner, M, Hausinger, R.P, Hu, J. | Deposit date: | 2018-05-16 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.944 Å) | Cite: | Unique cesium-binding sites in proteins, a case study with the sacrificial sulfur transferase LarE J Life Sci, 2021
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7MLQ
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![BU of 7mlq by Molmil](/molmil-images/mine/7mlq) | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26) | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | Authors: | Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
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8B4K
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6G9D
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5TR0
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![BU of 5tr0 by Molmil](/molmil-images/mine/5tr0) | Lipoxygenase-1 (soybean) L754A mutant at 293K | Descriptor: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | Authors: | Poss, E.M, Fraser, J.S. | Deposit date: | 2016-10-24 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network. J.Am.Chem.Soc., 141, 2019
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6FMF
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![BU of 6fmf by Molmil](/molmil-images/mine/6fmf) | Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure | Descriptor: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid | Authors: | Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P. | Deposit date: | 2018-01-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.811 Å) | Cite: | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells. J. Med. Chem., 61, 2018
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7R57
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8BHX
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6G9M
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7R8P
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5TSA
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![BU of 5tsa by Molmil](/molmil-images/mine/5tsa) | Crystal structure of the Zrt-/Irt-like protein from Bordetella bronchiseptica with bound Zn2+ | Descriptor: | CADMIUM ION, Membrane protein, ZINC ION | Authors: | Zhang, T, Fellner, M, Sui, D, Liu, J, Hu, J. | Deposit date: | 2016-10-28 | Release date: | 2017-09-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of a ZIP zinc transporter reveal a binuclear metal center in the transport pathway. Sci Adv, 3, 2017
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6ZS4
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![BU of 6zs4 by Molmil](/molmil-images/mine/6zs4) | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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8Q9U
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6R5V
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7RP8
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7MLS
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![BU of 7mls by Molmil](/molmil-images/mine/7mls) | X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) | Descriptor: | 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... | Authors: | Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-04-28 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
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6R9R
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![BU of 6r9r by Molmil](/molmil-images/mine/6r9r) | Crystal structure of Csx1 in complex with cyclic oligoadenylate cOA4 conformation 2 | Descriptor: | CRISPR-associated (Cas) DxTHG family, circular RNA (5'-R(P*AP*AP*AP*A)-3') | Authors: | Molina, R, Montoya, G, Sofos, N, Stella, S. | Deposit date: | 2019-04-03 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas. Nat Commun, 10, 2019
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7R9X
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8BPT
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5TTD
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![BU of 5ttd by Molmil](/molmil-images/mine/5ttd) | Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond | Descriptor: | FORMIC ACID, Maltose-binding periplasmic protein,Pilin isopeptide linkage domain protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Young, P.G, Kwon, H, Squire, C.J, Baker, E.N. | Deposit date: | 2016-11-02 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a Lys-Asn isopeptide bond into an immunoglobulin-like protein domain enhances its stability. Sci Rep, 7, 2017
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7RGX
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6IEZ
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![BU of 6iez by Molmil](/molmil-images/mine/6iez) | Crystal structure of CERT START domain in complex with compound B16 | Descriptor: | 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | Deposit date: | 2018-09-18 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
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6GBP
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![BU of 6gbp by Molmil](/molmil-images/mine/6gbp) | Crystal Structure of the oligomerization domain of VP35 from Ebola virus, mercury derivative | Descriptor: | MERCURY (II) ION, Polymerase cofactor VP35 | Authors: | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | Deposit date: | 2018-04-16 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species. Structure, 27, 2019
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