5OML
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![BU of 5oml by Molmil](/molmil-images/mine/5oml) | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope | Descriptor: | (3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | Authors: | Ratkova, E.L, Dawidowski, M, Napolitano, V, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | Deposit date: | 2017-08-01 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope To Be Published
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7W2B
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7W2C
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![BU of 7w2c by Molmil](/molmil-images/mine/7w2c) | The closed conformation of the sigma-1 receptor from Xenopus laevis complexed with PRE084 | Descriptor: | 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate, GOLD ION, Sigma non-opioid intracellular receptor 1, ... | Authors: | Meng, F, Sun, Z, Zhou, X. | Deposit date: | 2021-11-23 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.335 Å) | Cite: | An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway. Nat Commun, 13, 2022
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7W2E
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7W2G
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7W2H
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7W2D
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7W2F
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5V4K
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![BU of 5v4k by Molmil](/molmil-images/mine/5v4k) | Crystal structure of NEDD4 LIR-fused human LC3B_2-119 | Descriptor: | GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | Authors: | Qiu, Y, Zheng, Y, Schulman, B. | Deposit date: | 2017-03-09 | Release date: | 2017-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Insights into links between autophagy and the ubiquitin system from the structure of LC3B bound to the LIR motif from the E3 ligase NEDD4. Protein Sci., 26, 2017
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1EJI
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![BU of 1eji by Molmil](/molmil-images/mine/1eji) | RECOMBINANT SERINE HYDROXYMETHYLTRANSFERASE (MOUSE) | Descriptor: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Szebenyi, D.M.E, Liu, X, Kriksunov, I.A, Stover, P.J, Thiel, D.J. | Deposit date: | 2000-03-02 | Release date: | 2000-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of a murine cytoplasmic serine hydroxymethyltransferase quinonoid ternary complex: evidence for asymmetric obligate dimers. Biochemistry, 39, 2000
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6TQ0
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8AUU
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1ECN
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5OTM
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![BU of 5otm by Molmil](/molmil-images/mine/5otm) | Crystal structure of human MTH1 in complex with O6-methyl-dGMP | Descriptor: | 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Gustafsson, R, Henriksson, L, Jemth, A.-S, Brautigam, L, Carreras Puigvert, J, Homan, E, Warpman Berglund, U, Helleday, T, Stenmark, P. | Deposit date: | 2017-08-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP. Nucleic Acids Res., 46, 2018
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4JK5
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![BU of 4jk5 by Molmil](/molmil-images/mine/4jk5) | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser) | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | Deposit date: | 2013-03-09 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids. Chembiochem, 14, 2013
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4IS6
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![BU of 4is6 by Molmil](/molmil-images/mine/4is6) | Crystal structure of HLA-DR4 bound to GP100 peptide | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ... | Authors: | Li, Y. | Deposit date: | 2013-01-16 | Release date: | 2013-10-23 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Altered MHC Class II-Restricted Peptide Ligands with Heterogeneous Immunogenicity. J.Immunol., 191, 2013
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7UK4
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![BU of 7uk4 by Molmil](/molmil-images/mine/7uk4) | KS-AT di-domain of mycobacterial Pks13 with endogenous KS ligand bound | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | Deposit date: | 2022-03-31 | Release date: | 2023-02-15 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (1.94 Å) | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13. Nat.Struct.Mol.Biol., 30, 2023
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6QT2
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![BU of 6qt2 by Molmil](/molmil-images/mine/6qt2) | Radiation damage study on a 16mer DNA segment, structure at 6.2 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
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6QT6
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![BU of 6qt6 by Molmil](/molmil-images/mine/6qt6) | Radiation damage study on a 16mer DNA segment, structure at 29.2 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
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6QT1
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![BU of 6qt1 by Molmil](/molmil-images/mine/6qt1) | Radiation damage study on a 16mer DNA segment, structure at 0.48 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
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6QT4
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![BU of 6qt4 by Molmil](/molmil-images/mine/6qt4) | Radiation damage study on a 16mer DNA segment, structure at 17.7 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
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6LOC
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![BU of 6loc by Molmil](/molmil-images/mine/6loc) | Crystal structure of RORgammat with ligand C46D bound | Descriptor: | 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | Authors: | Feng, Y, Shijie, C. | Deposit date: | 2020-01-04 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20014858 Å) | Cite: | Crystal structure of RORgammat with ligand C46D bound To Be Published
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1WCY
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![BU of 1wcy by Molmil](/molmil-images/mine/1wcy) | Crystal Structure Of Human Dipeptidyl Peptidase IV (DPPIV) Complex With Diprotin A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, ... | Authors: | Hiramatsu, H, Yamamoto, A, Kyono, K, Higashiyama, Y, Fukushima, C, Shima, H, Sugiyama, S, Inaka, K, Shimizu, R. | Deposit date: | 2004-05-07 | Release date: | 2005-05-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of human dipeptidyl peptidase IV (DPPIV) complex with diprotin A Biol.Chem., 385, 2004
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7YK9
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![BU of 7yk9 by Molmil](/molmil-images/mine/7yk9) | Neutron Structure of PcyA I86D Mutant Complexed with Biliverdin at Room Temperature | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase | Authors: | Unno, M, Igarashi, K. | Deposit date: | 2022-07-22 | Release date: | 2023-01-25 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states. J.Biol.Chem., 299, 2022
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6ONU
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![BU of 6onu by Molmil](/molmil-images/mine/6onu) | Complex structure of WhiB1 and region 4 of SigA in P21 space group. | Descriptor: | DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ... | Authors: | Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M. | Deposit date: | 2019-04-22 | Release date: | 2019-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis. Nucleic Acids Res., 48, 2020
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