3MKG
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7AQL
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7AX3
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3CMR
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![BU of 3cmr by Molmil](/molmil-images/mine/3cmr) | E. coli alkaline phosphatase mutant R166S in complex with phosphate | Descriptor: | Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | O'Brien, P.J, Lassila, J.K, Fenn, T.D, Zalatan, J.G, Herschlag, D. | Deposit date: | 2008-03-24 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Arginine coordination in enzymatic phosphoryl transfer: evaluation of the effect of Arg166 mutations in Escherichia coli alkaline phosphatase Biochemistry, 47, 2008
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7NRF
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![BU of 7nrf by Molmil](/molmil-images/mine/7nrf) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | Deposit date: | 2021-03-03 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
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7NRE
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![BU of 7nre by Molmil](/molmil-images/mine/7nre) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | Deposit date: | 2021-03-03 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
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7NRI
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![BU of 7nri by Molmil](/molmil-images/mine/7nri) | Structure of the darobactin-bound E. coli BAM complex (BamABCDE) | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | Deposit date: | 2021-03-03 | Release date: | 2021-04-21 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
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4IJ8
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![BU of 4ij8 by Molmil](/molmil-images/mine/4ij8) | Crystal structure of the complex of SETD8 with SAM | Descriptor: | N-lysine methyltransferase SETD8, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ... | Authors: | Yu, W, Tempel, W, Li, Y, El Bakkouri, M, Shapira, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-21 | Release date: | 2013-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the complex of SETD8 with SAM To be Published
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3M5J
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![BU of 3m5j by Molmil](/molmil-images/mine/3m5j) | Crystal structure of a H7 influenza virus hemagglutinin complexed with LSTb | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | Authors: | Yang, H, Chen, L.M, Carney, P.J, Donis, R.O, Stevens, J. | Deposit date: | 2010-03-12 | Release date: | 2010-09-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of receptor complexes of a North American H7N2 influenza hemagglutinin with a loop deletion in the receptor binding site. Plos Pathog., 6, 2010
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5T0R
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5T0S
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![BU of 5t0s by Molmil](/molmil-images/mine/5t0s) | Synaptotagmin 1 C2B domain, cadmium-bound | Descriptor: | CADMIUM ION, SODIUM ION, Synaptotagmin-1 | Authors: | Taylor, A.B, Hart, P.J, Igumenova, T.I. | Deposit date: | 2016-08-16 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions. Biochemistry, 56, 2017
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4II5
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![BU of 4ii5 by Molmil](/molmil-images/mine/4ii5) | Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A. | Deposit date: | 2012-12-19 | Release date: | 2013-01-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE J.Am.Chem.Soc., 134, 2012
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4QPN
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![BU of 4qpn by Molmil](/molmil-images/mine/4qpn) | Crystal Structure of Human Methyltransferase-Like Protein 21B | Descriptor: | Protein-lysine methyltransferase METTL21B, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Tempel, W, Hong, B.S, Seitova, A, He, H, Li, Y, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-24 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structure of Human Methyltransferase-Like Protein 21B TO BE PUBLISHED
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7B4Q
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![BU of 7b4q by Molmil](/molmil-images/mine/7b4q) | Structure of a cold active HSL family esterase reveals mechanisms of low temperature adaptation and substrate specificity | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Rizkallah, P.J, Jones, D.D, Noby, N, Auhim, H. | Deposit date: | 2020-12-02 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure and in silico simulations of a cold-active esterase reveals its prime cold-adaptation mechanism. Open Biology, 11, 2021
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4GDP
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![BU of 4gdp by Molmil](/molmil-images/mine/4gdp) | Yeast polyamine oxidase FMS1, N195A mutant | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Polyamine oxidase FMS1, TETRAETHYLENE GLYCOL | Authors: | Taylor, A.B, Adachi, M.S, Hart, P.J, Fitzpatrick, P.F. | Deposit date: | 2012-08-01 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9998 Å) | Cite: | Mechanistic and Structural Analyses of the Roles of Active Site Residues in Yeast Polyamine Oxidase Fms1: Characterization of the N195A and D94N Enzymes. Biochemistry, 51, 2012
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4QPP
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![BU of 4qpp by Molmil](/molmil-images/mine/4qpp) | The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE | Descriptor: | 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ... | Authors: | Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-24 | Release date: | 2014-08-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Crystal Structure of Human HMT1
hnRNP methyltransferase-like protein 6 in complex with compound DS-421 To be Published
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5TIX
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![BU of 5tix by Molmil](/molmil-images/mine/5tix) | Schistosoma haematobium (Blood Fluke) Sulfotransferase/R-oxamniquine Complex | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | Authors: | Taylor, A.B, Hart, P.J. | Deposit date: | 2016-10-03 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy. J. Biol. Chem., 292, 2017
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7O6E
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![BU of 7o6e by Molmil](/molmil-images/mine/7o6e) | 2.12 A cryo-EM structure of Mycobacterium tuberculosis Ferritin | Descriptor: | Ferritin BfrB | Authors: | Gijsbers, A, Zhang, Y, Gao, Y, Peters, P.J, Ravelli, R.B.G. | Deposit date: | 2021-04-10 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Mycobacterium tuberculosis ferritin: a suitable workhorse protein for cryo-EM development. Acta Crystallogr D Struct Biol, 77, 2021
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3N0M
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![BU of 3n0m by Molmil](/molmil-images/mine/3n0m) | Crystal structure of BA2930 mutant (H183G) in complex with AcCoA | Descriptor: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-14 | Release date: | 2010-06-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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4RG2
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![BU of 4rg2 by Molmil](/molmil-images/mine/4rg2) | Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-N-[3-(tert-butylamino)propyl]benzamide, Tumor suppressor p53-binding protein 1, ... | Authors: | Dong, A, Mader, P, James, L, Perfetti, M, Tempel, W, Frye, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1. ACS Chem. Biol., 10, 2015
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4FEW
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![BU of 4few by Molmil](/molmil-images/mine/4few) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2 | Descriptor: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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3MP9
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![BU of 3mp9 by Molmil](/molmil-images/mine/3mp9) | Structure of Streptococcal protein G B1 domain at pH 3.0 | Descriptor: | FORMIC ACID, Immunoglobulin G-binding protein G | Authors: | Tomlinson, J.H, Green, V.L, Baker, P.J, Williamson, M.P. | Deposit date: | 2010-04-26 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural origins of pH-dependent chemical shifts in the B1 domain of protein G. Proteins, 78, 2010
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7NRK
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![BU of 7nrk by Molmil](/molmil-images/mine/7nrk) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 | Descriptor: | 14-3-3 protein sigma, 4-(4-methylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | 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 (1.75 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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3M5G
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![BU of 3m5g by Molmil](/molmil-images/mine/3m5g) | Crystal structure of a H7 influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, H, Chen, L.M, Carney, P.J, Donis, R.O, Stevens, J. | Deposit date: | 2010-03-12 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of receptor complexes of a North American H7N2 influenza hemagglutinin with a loop deletion in the receptor binding site. Plos Pathog., 6, 2010
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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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