5G09
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![BU of 5g09 by Molmil](/molmil-images/mine/5g09) | The crystal structure of a S-selective transaminase from Bacillus megaterium bound with R-alpha-methylbenzylamine | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ... | Authors: | van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W. | Deposit date: | 2016-03-17 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases Biochemistry, 55, 2016
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7TJ0
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![BU of 7tj0 by Molmil](/molmil-images/mine/7tj0) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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6IOA
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![BU of 6ioa by Molmil](/molmil-images/mine/6ioa) | The structure of UdgX in complex with uracil | Descriptor: | IRON/SULFUR CLUSTER, Phage SPO1 DNA polymerase-related protein, SULFATE ION, ... | Authors: | Xie, W, Tu, J. | Deposit date: | 2018-10-29 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Suicide inactivation of the uracil DNA glycosylase UdgX by covalent complex formation. Nat.Chem.Biol., 15, 2019
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2VA0
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![BU of 2va0 by Molmil](/molmil-images/mine/2va0) | Differential regulation of the xylan degrading apparatus of Cellvibrio japonicus by a novel two component system | Descriptor: | ABFS ARABINOFURANOSIDASE TWO COMPONENT SYSTEM SENSOR PROTEIN, CHLORIDE ION, PHOSPHATE ION | Authors: | Murray, J.W, Emami, K, Topakas, E, Nagy, T, Henshaw, J, Jackson, K.A, Nelson, K.E, Mongodin, E.F, Lewis, R.J, Gilbert, H.J. | Deposit date: | 2007-08-28 | Release date: | 2008-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Regulation of the Xylan-Degrading Apparatus of Cellvibrio Japonicus by a Novel Two-Component System. J.Biol.Chem., 284, 2009
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1BNZ
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![BU of 1bnz by Molmil](/molmil-images/mine/1bnz) | SSO7D HYPERTHERMOPHILE PROTEIN/DNA COMPLEX | Descriptor: | 5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3', DNA-BINDING PROTEIN 7A | Authors: | Gao, Y.-G, Su, S.-Y, Robinson, H, Padmanabhan, S, Lim, L, Mccrary, B.S, Edmondos, S.P, Shrive, J.W, Wang, A.H.-J. | Deposit date: | 1998-07-31 | Release date: | 1998-11-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the hyperthermophile chromosomal protein Sso7d bound to DNA. Nat.Struct.Biol., 5, 1998
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1BOG
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![BU of 1bog by Molmil](/molmil-images/mine/1bog) | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH AN EPITOPE-HOMOLOGOUS PEPTIDE | Descriptor: | ANTIBODY (CB 4-1), PEPTIDE | Authors: | Keitel, T, Kramer, A, Wessner, H, Scholz, C, Schneider-Mergener, J, Hoehne, W. | Deposit date: | 1998-08-04 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic analysis of anti-p24 (HIV-1) monoclonal antibody cross-reactivity and polyspecificity. Cell(Cambridge,Mass.), 91, 1997
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1BQB
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![BU of 1bqb by Molmil](/molmil-images/mine/1bqb) | AUREOLYSIN, STAPHYLOCOCCUS AUREUS METALLOPROTEINASE | Descriptor: | CALCIUM ION, PROTEIN (AUREOLYSIN), ZINC ION | Authors: | Medrano, F.J, Banbula, A, Potempa, J, Travis, J, Bode, W. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Amino-acid sequence and three-dimensional structure of the Staphylococcus aureus metalloproteinase at 1.72 A resolution. Structure, 6, 1998
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1RFX
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![BU of 1rfx by Molmil](/molmil-images/mine/1rfx) | Crystal Structure of resisitin | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Patel, S.D, Rajala, M.W, Scherer, P.E, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-11-10 | Release date: | 2004-06-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Disulfide-dependent multimeric assembly of resistin family hormones Science, 304, 2004
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3CFR
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![BU of 3cfr by Molmil](/molmil-images/mine/3cfr) | Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary complex 2 | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DGP*DCP*DGP*DGP*DAP*DCP*DTP*DGP*DCP*DTP*DTP*DAP*(DOC))-3'), ... | Authors: | Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H. | Deposit date: | 2008-03-04 | Release date: | 2009-03-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights into base selectivity from the structures
of an RB69 DNA Polymerase triple mutant To be Published
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7FAH
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![BU of 7fah by Molmil](/molmil-images/mine/7fah) | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | Deposit date: | 2021-07-06 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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2VO5
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![BU of 2vo5 by Molmil](/molmil-images/mine/2vo5) | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | Descriptor: | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2008-02-08 | Release date: | 2008-04-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
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8TE1
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![BU of 8te1 by Molmil](/molmil-images/mine/8te1) | |
8AIN
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![BU of 8ain by Molmil](/molmil-images/mine/8ain) | MCUGI SAUNG complex | Descriptor: | 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ... | Authors: | Muselmani, W, Savva, R. | Deposit date: | 2022-07-26 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase. Viruses, 15, 2023
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1RHM
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![BU of 1rhm by Molmil](/molmil-images/mine/1rhm) | |
5DIB
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![BU of 5dib by Molmil](/molmil-images/mine/5dib) | 2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-08-31 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289 To Be Published
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1A17
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![BU of 1a17 by Molmil](/molmil-images/mine/1a17) | TETRATRICOPEPTIDE REPEATS OF PROTEIN PHOSPHATASE 5 | Descriptor: | SERINE/THREONINE PROTEIN PHOSPHATASE 5, SULFATE ION | Authors: | Das, A.K, Cohen, P.T.W, Barford, D. | Deposit date: | 1997-12-23 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The structure of the tetratricopeptide repeats of protein phosphatase 5: implications for TPR-mediated protein-protein interactions. EMBO J., 17, 1998
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175D
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![BU of 175d by Molmil](/molmil-images/mine/175d) | |
1PJ1
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![BU of 1pj1 by Molmil](/molmil-images/mine/1pj1) | RIBONUCLEOTIDE REDUCTASE R2-D84E/W48F SOAKED WITH FERROUS IONS AT PH 5 | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | Deposit date: | 2003-05-30 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2. J.Am.Chem.Soc., 125, 2003
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3CZH
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![BU of 3czh by Molmil](/molmil-images/mine/3czh) | Crystal structure of CYP2R1 in complex with vitamin D2 | Descriptor: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | Authors: | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-04-29 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of CYP2R1 in complex with vitamin D2. To be Published
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8B2G
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![BU of 8b2g by Molmil](/molmil-images/mine/8b2g) | SH3-like domain from Penicillium virgatum muramidase | Descriptor: | 1,2-ETHANEDIOL, SH3b domain-containing protein, ZINC ION | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | Deposit date: | 2022-09-13 | Release date: | 2023-07-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases. Acta Crystallogr D Struct Biol, 79, 2023
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6AMR
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![BU of 6amr by Molmil](/molmil-images/mine/6amr) | |
7U1E
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![BU of 7u1e by Molmil](/molmil-images/mine/7u1e) | CryoEM structure of the pancreatic ATP-sensitive potassium channel bound to ATP with Kir6.2-CTD in the down conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | Authors: | Shyng, S.L, Sung, M.W, Driggers, C.M. | Deposit date: | 2022-02-21 | Release date: | 2022-08-31 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (4.52 Å) | Cite: | Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel. J.Mol.Biol., 434, 2022
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2W3U
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![BU of 2w3u by Molmil](/molmil-images/mine/2w3u) | formate complex of the Ni-Form of E.coli deformylase | Descriptor: | FORMIC ACID, NICKEL (II) ION, PEPTIDE DEFORMYLASE | Authors: | Ngo, Y.H.T, Palm, G.J, Hinrichs, W. | Deposit date: | 2008-11-14 | Release date: | 2009-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of the Ni(II) Complex of Escherichia Coli Peptide Deformylase and Suggestions on Deformylase Activities Depending on Different Metal(II) Centres. J.Biol.Inorg.Chem., 15, 2010
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5C4I
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![BU of 5c4i by Molmil](/molmil-images/mine/5c4i) | Structure of an Oxalate Oxidoreductase | Descriptor: | IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ... | Authors: | Gibson, M.I, Brignole, E.J, Pierce, E, Can, M, Ragsdale, S.W, Drennan, C.L. | Deposit date: | 2015-06-18 | Release date: | 2015-07-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.274 Å) | Cite: | The Structure of an Oxalate Oxidoreductase Provides Insight into Microbial 2-Oxoacid Metabolism. Biochemistry, 54, 2015
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8TE4
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![BU of 8te4 by Molmil](/molmil-images/mine/8te4) | |