5A6X
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![BU of 5a6x by Molmil](/molmil-images/mine/5a6x) | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with alpha-methyl-fucoside | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-L-fucopyranoside | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | Deposit date: | 2015-07-02 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery. Chem Sci, 7, 2016
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6MLC
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![BU of 6mlc by Molmil](/molmil-images/mine/6mlc) | PHD6 domain of MLL3 in complex with histone H4 | Descriptor: | GLYCEROL, Histone H4, Histone-lysine N-methyltransferase 2C, ... | Authors: | Dong, A, Liu, Y, Qin, S, Lei, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-27 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4. Nat Commun, 10, 2019
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6PAL
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![BU of 6pal by Molmil](/molmil-images/mine/6pal) | Bacteroides uniformis endo-laminarinase BuGH158 from the beta(1,3)-glucan utilization locus | Descriptor: | ACETATE ION, SULFATE ION, Uncharacterized protein | Authors: | Tamura, K, Brumer, H, van Petegem, F. | Deposit date: | 2019-06-11 | Release date: | 2020-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.818 Å) | Cite: | Synergy between Cell Surface Glycosidases and Glycan-Binding Proteins Dictates the Utilization of Specific Beta(1,3)-Glucans by Human GutBacteroides. Mbio, 11, 2020
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5A3D
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![BU of 5a3d by Molmil](/molmil-images/mine/5a3d) | Structural insights into the recognition of cisplatin and AAF-dG lesions by Rad14 (XPA) | Descriptor: | 5'-D(*DG 5IUP*GP*A 5IUP*GP*AP*CP*G 5IUP*AP*GP*AP*DGP*AP)-3', 5'-D(*DTP*CP*TP*CP*TP*AP*C 8FGP*TP*CP*AP*TP*CP*DAP*CP)-3', DNA REPAIR PROTEIN RAD14, ... | Authors: | Kuper, J, Koch, S.C, Gasteiger, K.L, Wichlein, N, Schneider, S, Kisker, C, Carell, T. | Deposit date: | 2015-05-28 | Release date: | 2015-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into the Recognition of Cisplatin and Aaf-Dg Lesion by Rad14 (Xpa). Proc.Natl.Acad.Sci.USA, 112, 2015
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6V34
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![BU of 6v34 by Molmil](/molmil-images/mine/6v34) | |
7W21
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![BU of 7w21 by Molmil](/molmil-images/mine/7w21) | Structure of the M. tuberculosis HtrA N269A mutant | Descriptor: | Probable serine protease HtrA1 | Authors: | Gupta, A.K, Gopal, B. | Deposit date: | 2021-11-21 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations. Acs Chem.Biol., 18, 2023
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6V3C
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6MLX
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![BU of 6mlx by Molmil](/molmil-images/mine/6mlx) | Crystal structure of T. pallidum Leucine Rich Repeat protein (TpLRR) | Descriptor: | Leucine-rich repeat protein TpLRR | Authors: | Ramaswamy, R, Loveless, B.C, Houston, S, Cameron, C.E, Boulanger, M.J. | Deposit date: | 2018-09-28 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of Treponema pallidum Tp0225 reveals an unexpected leucine-rich repeat architecture. Acta Crystallogr.,Sect.F, 75, 2019
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8DA9
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![BU of 8da9 by Molmil](/molmil-images/mine/8da9) | Coevolved affibody-Z domain pair LL2.c3 | Descriptor: | Affibody LL2.FIIV, GLYCEROL, Immunoglobulin G-binding protein A, ... | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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7OND
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8DA6
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![BU of 8da6 by Molmil](/molmil-images/mine/8da6) | Coevolved affibody-Z domain pair LL1.c5 | Descriptor: | Affibody LL1.FIIM, Immunoglobulin G-binding protein A | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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6AW0
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![BU of 6aw0 by Molmil](/molmil-images/mine/6aw0) | Crystal structure of CEACAM3 L44Q | Descriptor: | CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 3, GLYCEROL, ... | Authors: | Bonsor, D.A, Sundberg, E.J. | Deposit date: | 2017-09-05 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA. EMBO J., 37, 2018
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6PB3
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![BU of 6pb3 by Molmil](/molmil-images/mine/6pb3) | Structure of Rhizobiales Trip13 | Descriptor: | Rhizobiales Sp. Pch2, SULFATE ION | Authors: | Ye, Q, Corbett, K.D. | Deposit date: | 2019-06-12 | Release date: | 2019-12-25 | Last modified: | 2020-03-04 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity. Mol.Cell, 77, 2020
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7TMF
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8Q1V
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7VYZ
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![BU of 7vyz by Molmil](/molmil-images/mine/7vyz) | Structure of the M. tuberculosis HtrA S367A mutant | Descriptor: | Probable serine protease HtrA1 | Authors: | Gupta, A.K, Gopal, B. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations. Acs Chem.Biol., 18, 2023
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5AHE
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![BU of 5ahe by Molmil](/molmil-images/mine/5ahe) | Crystal structure of Salmonella enterica HisA | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M. | Deposit date: | 2015-02-05 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa J.Biol.Chem., 290, 2015
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7TMV
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6AW7
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![BU of 6aw7 by Molmil](/molmil-images/mine/6aw7) | 2.15A resolution structure of SAH bound catechol O-methyltransferase (COMT) from Nannospalax galili | Descriptor: | CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution To be published
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8DA8
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![BU of 8da8 by Molmil](/molmil-images/mine/8da8) | Coevolved affibody-Z domain pair LL2.c1 | Descriptor: | Affibody LL2.FIIK, GLYCEROL, Immunoglobulin G-binding protein A | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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7ORF
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![BU of 7orf by Molmil](/molmil-images/mine/7orf) | Crystal structure of JNK3 in complex with FMU-001-367 (compound 1) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 10, ... | Authors: | Chaikuad, A, Koch, P, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-06-05 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light. Angew.Chem.Int.Ed.Engl., 60, 2021
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8DA7
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![BU of 8da7 by Molmil](/molmil-images/mine/8da7) | Coevolved affibody-Z domain pair LL1.c6 | Descriptor: | Immunoglobulin G-binding protein A, MALONATE ION, affibody LL1.FIFV | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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5ADZ
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![BU of 5adz by Molmil](/molmil-images/mine/5adz) | Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1a | Descriptor: | (3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | Deposit date: | 2015-08-25 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents. Acs Chem.Biol., 10, 2015
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7TMG
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8Q28
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![BU of 8q28 by Molmil](/molmil-images/mine/8q28) | |