6U6C
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![BU of 6u6c by Molmil](/molmil-images/mine/6u6c) | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK2-bound form | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ... | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-29 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase. Protein Sci., 29, 2020
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7P74
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![BU of 7p74 by Molmil](/molmil-images/mine/7p74) | The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ-binding motif of RSK1 | Descriptor: | CALCIUM ION, GLYCEROL, Ribosomal protein S6 kinase alpha-1, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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7MDL
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![BU of 7mdl by Molmil](/molmil-images/mine/7mdl) | High-resolution crystal structure of human SepSecS-tRNASec complex | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, CITRATE ANION, O-phosphoseryl-tRNA(Sec) selenium transferase, ... | Authors: | Puppala, A, French, R.L, Simonovic, M. | Deposit date: | 2021-04-05 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans. Nucleic Acids Res., 2023
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6ZVD
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![BU of 6zvd by Molmil](/molmil-images/mine/6zvd) | |
6ZVE
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![BU of 6zve by Molmil](/molmil-images/mine/6zve) | |
6MEA
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![BU of 6mea by Molmil](/molmil-images/mine/6mea) | Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate ribose (ADP-ribose) | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab | Authors: | Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A. | Deposit date: | 2018-09-06 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4 Proc.Natl.Acad.Sci.USA, 2021
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8BFW
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![BU of 8bfw by Molmil](/molmil-images/mine/8bfw) | The structures of Ace2 in complex with bicyclic peptide inhibitor | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | Deposit date: | 2022-10-27 | Release date: | 2023-10-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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7P71
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![BU of 7p71 by Molmil](/molmil-images/mine/7p71) | The PDZ domain of MAGI1_2 complexed with the PDZ-binding motif of HPV35-E6 | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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5LK1
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6OAY
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![BU of 6oay by Molmil](/molmil-images/mine/6oay) | Structure of the hyperactive ClpB mutant K476C, bound to casein, post-state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-S1-casein, Hyperactive disaggregase ClpB, ... | Authors: | Rizo, A.R, Lin, J.-B, Gates, S.N, Tse, E, Bart, S.M, Castellano, L.M, Dimaio, F, Shorter, J, Southworth, D.R. | Deposit date: | 2019-03-18 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for substrate gripping and translocation by the ClpB AAA+ disaggregase. Nat Commun, 10, 2019
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8SKW
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![BU of 8skw by Molmil](/molmil-images/mine/8skw) | MicroED structure of d(CGCGCG)2 Z-DNA | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE | Authors: | Haymaker, A, Bardin, A.A, Martynowycz, M.W, Nannenga, B.L. | Deposit date: | 2023-04-20 | Release date: | 2023-08-16 | Last modified: | 2023-12-20 | Method: | ELECTRON CRYSTALLOGRAPHY (1.1 Å) | Cite: | Structure determination of a DNA crystal by MicroED. Structure, 31, 2023
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6ZWT
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![BU of 6zwt by Molmil](/molmil-images/mine/6zwt) | Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A. | Deposit date: | 2020-07-28 | Release date: | 2021-08-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis. Virulence, 13, 2022
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5LHV
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![BU of 5lhv by Molmil](/molmil-images/mine/5lhv) | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine and sulfate ion at 1.29 A resolution | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Balaev, V.V, Betzel, C, Mikhailov, A.M. | Deposit date: | 2016-07-13 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.288 Å) | Cite: | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine and sulfate ion at 1.29 A resolution To Be Published
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6UMC
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![BU of 6umc by Molmil](/molmil-images/mine/6umc) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-09 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
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8DPY
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7NE7
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![BU of 7ne7 by Molmil](/molmil-images/mine/7ne7) | oligopeptidase B from S. proteomaculans with modified hinge region in complex with N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide | Descriptor: | N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | Deposit date: | 2021-02-03 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of N alpha-p-tosyl-lysyl Chloromethylketone-Bound Oligopeptidase B from Serratia Proteamaculans Revealed a New Type of Inhibitor Binding Crystals, 11, 2021
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6TVF
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![BU of 6tvf by Molmil](/molmil-images/mine/6tvf) | Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue, 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-09 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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7AA4
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![BU of 7aa4 by Molmil](/molmil-images/mine/7aa4) | Structure of ClpC1-NTD bound to a CymA analogue | Descriptor: | Negative regulator of genetic competence ClpC/mecB, polymer Cyclomarin A analogue | Authors: | Meinhart, A, Morreale, F.E, Kaiser, M, Clausen, T. | Deposit date: | 2020-09-03 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | BacPROTACs mediate targeted protein degradation in bacteria. Cell, 185, 2022
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5IGJ
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7NFY
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![BU of 7nfy by Molmil](/molmil-images/mine/7nfy) | P1a-state of wild type human mitochondrial LONP1 protease with bound substrate protein and ATPgS | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial, ... | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | Deposit date: | 2021-02-08 | Release date: | 2021-02-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
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7NG5
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![BU of 7ng5 by Molmil](/molmil-images/mine/7ng5) | P1c-state of wild type human mitochondrial LONP1 protease with bound substrate protein in presence of ATP/ADP mix | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | Deposit date: | 2021-02-08 | Release date: | 2021-02-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
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8SO3
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![BU of 8so3 by Molmil](/molmil-images/mine/8so3) | CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein, favezelimab Fab heavy chain, ... | Authors: | Mishra, A.K, Shahid, S, Karade, S.S, Mariuzza, R.A. | Deposit date: | 2023-04-28 | Release date: | 2023-09-06 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker. Structure, 31, 2023
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7P72
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![BU of 7p72 by Molmil](/molmil-images/mine/7p72) | The PDZ domain of SNX27 complexed with the PDZ-binding motif of MERS-E | Descriptor: | CALCIUM ION, Envelope small membrane protein, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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7NG4
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![BU of 7ng4 by Molmil](/molmil-images/mine/7ng4) | P1b-state of wild type human mitochondrial LONP1 protease with bound endogenous substrate protein and in presence of ATP/ADP mix | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | Deposit date: | 2021-02-08 | Release date: | 2021-02-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
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6U64
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![BU of 6u64 by Molmil](/molmil-images/mine/6u64) | Mcl-1 bound to compound 17 | Descriptor: | 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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