4YGJ
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![BU of 4ygj by Molmil](/molmil-images/mine/4ygj) | NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | Descriptor: | BROMIDE ION, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
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6BRM
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![BU of 6brm by Molmil](/molmil-images/mine/6brm) | The crystal structure of isothiocyanate hydrolase from Delia radicum gut bacteria | Descriptor: | FORMIC ACID, Putative metal-dependent isothiocyanate hydrolase SaxA, ZINC ION | Authors: | Tan, K, van den Bosch, T, Joachimiak, A, Welte, C. | Deposit date: | 2017-11-30 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Functional Profiling and Crystal Structures of Isothiocyanate Hydrolases Found in Gut-Associated and Plant-Pathogenic Bacteria. Appl. Environ. Microbiol., 84, 2018
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4YGN
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![BU of 4ygn by Molmil](/molmil-images/mine/4ygn) | NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | Descriptor: | Carbonic anhydrase 2, IODIDE ION, ZINC ION | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
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6HOO
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![BU of 6hoo by Molmil](/molmil-images/mine/6hoo) | Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase | Descriptor: | Beta-lactamase,OXA-48loop18,Beta-lactamase, FLUORIDE ION, GLYCEROL, ... | Authors: | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | Deposit date: | 2018-09-17 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Substrate Specificity of OXA-48 after beta 5-beta 6 Loop Replacement. Acs Infect Dis., 6, 2020
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6BQB
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![BU of 6bqb by Molmil](/molmil-images/mine/6bqb) | MGG4 Fab in complex with peptide | Descriptor: | GLYCEROL, MGG4 Fab heavy chain, MGG4 Fab light chain, ... | Authors: | Oyen, D, Tan, J, Lanzavecchia, A, Wilson, I.A. | Deposit date: | 2017-11-27 | Release date: | 2018-03-07 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | A public antibody lineage that potently inhibits malaria infection through dual binding to the circumsporozoite protein. Nat. Med., 24, 2018
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3NM7
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![BU of 3nm7 by Molmil](/molmil-images/mine/3nm7) | Crystal Structure of Borrelia burgdorferi Pur-alpha | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein | Authors: | Graebsch, A, Roche, S, Kostrewa, D, Niessing, D. | Deposit date: | 2010-06-22 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Of Bits and Bugs - on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure. Plos One, 5, 2010
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6HPZ
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![BU of 6hpz by Molmil](/molmil-images/mine/6hpz) | Crystal structure of ENL (MLLT1) in complex with acetyllysine | Descriptor: | 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, Protein ENL | Authors: | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-22 | Release date: | 2018-11-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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4YLE
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![BU of 4yle by Molmil](/molmil-images/mine/4yle) | Crystal structure of an ABC transpoter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose | Descriptor: | Periplasmic binding protein/LacI transcriptional regulator, UNKNOWN LIGAND | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-05 | Release date: | 2015-04-15 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of an ABC transporter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose To be published
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6BVF
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![BU of 6bvf by Molmil](/molmil-images/mine/6bvf) | |
6BVQ
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![BU of 6bvq by Molmil](/molmil-images/mine/6bvq) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase N27A from Cupriavidus metallidurans in complex with 4-Cl-3-HAA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ... | Authors: | Yang, Y, Liu, F, Liu, A. | Deposit date: | 2017-12-13 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.084 Å) | Cite: | Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities. J. Biol. Chem., 293, 2018
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6C34
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![BU of 6c34 by Molmil](/molmil-images/mine/6c34) | Mycobacterium smegmatis DNA flap endonuclease mutant D125N | Descriptor: | 5'-3' exonuclease, MANGANESE (II) ION | Authors: | Shuman, S, Goldgur, Y, Carl, A, Uson, M.L. | Deposit date: | 2018-01-09 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities. Nucleic Acids Res., 46, 2018
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6HSX
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![BU of 6hsx by Molmil](/molmil-images/mine/6hsx) | Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2018-10-02 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
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4NO6
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![BU of 4no6 by Molmil](/molmil-images/mine/4no6) | yCP in complex with Z-Leu-Leu-Leu-vinylsulfone | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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6HUH
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![BU of 6huh by Molmil](/molmil-images/mine/6huh) | CRYSTAL STRUCTURE OF OXA-427 class D BETA-LACTAMASE | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Zavala, A, Retailleau, P, Bogaerts, P, Glupczynski, Y, Naas, T, Iorga, B. | Deposit date: | 2018-10-08 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | CRYSTAL STRUCTURE OF CMY-OXA-427-HisTag BETA-LACTAMASE To be published
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5LZS
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![BU of 5lzs by Molmil](/molmil-images/mine/5lzs) | Structure of the mammalian ribosomal elongation complex with aminoacyl-tRNA, eEF1A, and didemnin B | Descriptor: | (2~{S})-~{N}-[(2~{R})-1-[[(3~{S},6~{S},8~{S},12~{S},13~{R},16~{S},17~{R},20~{S},23~{S})-13-[(2~{S})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{N}-methyl-1-[(2~{S})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide, 18S ribosomal RNA, 28S ribosomal RNA, ... | Authors: | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | Deposit date: | 2016-10-02 | Release date: | 2016-11-30 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes. Cell, 167, 2016
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6HUK
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![BU of 6huk by Molmil](/molmil-images/mine/6huk) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with bicuculline and megabody Mb38. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-3, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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1AVE
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![BU of 1ave by Molmil](/molmil-images/mine/1ave) | CRYSTAL STRUCTURE OF HEN EGG-WHITE APO-AVIDIN IN RELATION TO ITS THERMAL STABILITY PROPERTIES | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AVIDIN | Authors: | Pugliese, L, Coda, A, Malcovati, M, Bolognesi, M. | Deposit date: | 1993-03-05 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of apo-avidin from hen egg-white. J.Mol.Biol., 235, 1994
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4YM6
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![BU of 4ym6 by Molmil](/molmil-images/mine/4ym6) | Crystal structure of the human nucleosome containing 6-4PP (outside) | Descriptor: | 145-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Osakabe, A, Tachiwana, H, Kagawa, W, Horikoshi, N, Matsumoto, S, Hasegawa, M, Matsumoto, N, Toga, T, Yamamoto, J, Hanaoka, F, Thoma, N.H, Sugasawa, K, Iwai, S, Kurumizaka, H. | Deposit date: | 2015-03-06 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.514 Å) | Cite: | Structural basis of pyrimidine-pyrimidone (6-4) photoproduct recognition by UV-DDB in the nucleosome Sci Rep, 5, 2015
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4YQW
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![BU of 4yqw by Molmil](/molmil-images/mine/4yqw) | Mutant Human DNA Polymerase Eta Q38A/R61A Inserting dCTP Opposite Template G | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Su, Y, Patra, A, Harp, J.M, Egli, M, Guengerich, F.P. | Deposit date: | 2015-03-13 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.064 Å) | Cite: | Roles of Residues Arg-61 and Gln-38 of Human DNA Polymerase eta in Bypass of Deoxyguanosine and 7,8-Dihydro-8-oxo-2'-deoxyguanosine. J.Biol.Chem., 290, 2015
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6I0W
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![BU of 6i0w by Molmil](/molmil-images/mine/6i0w) | Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide | Descriptor: | 4-methoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2018-10-26 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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4YTU
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![BU of 4ytu by Molmil](/molmil-images/mine/4ytu) | Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with L-erythrulose | Descriptor: | D-tagatose 3-epimerase, L-Erythrulose, MANGANESE (II) ION | Authors: | Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. | Deposit date: | 2015-03-18 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Appl. Microbiol. Biotechnol., 100, 2016
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6HAS
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![BU of 6has by Molmil](/molmil-images/mine/6has) | |
6CE0
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![BU of 6ce0 by Molmil](/molmil-images/mine/6ce0) | Crystal structure of a HIV-1 clade B tier-3 isolate H078.14 UFO-BG Env trimer in complex with broadly neutralizing Fabs PGT124 and 35O22 at 4.6 Angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ... | Authors: | Kumar, S, Sarkar, A, Wilson, I.A. | Deposit date: | 2018-02-09 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.602 Å) | Cite: | HIV-1 vaccine design through minimizing envelope metastability. Sci Adv, 4, 2018
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6HBC
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![BU of 6hbc by Molmil](/molmil-images/mine/6hbc) | Structure of the repeat unit in the network formed by CcmM and Rubisco from Synechococcus elongatus | Descriptor: | Carbon dioxide concentrating mechanism protein CcmM, Ribulose 1,5-bisphosphate carboxylase small subunit, Ribulose bisphosphate carboxylase large chain | Authors: | Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2018-08-10 | Release date: | 2018-12-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Rubisco condensate formation by CcmM in beta-carboxysome biogenesis. Nature, 566, 2019
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6HC2
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![BU of 6hc2 by Molmil](/molmil-images/mine/6hc2) | Crystal structure of NuMA/LGN hetero-hexamers | Descriptor: | G-protein-signaling modulator 2, Nuclear mitotic apparatus protein 1 | Authors: | Pasqualato, S, Culurgioni, S, Foadi, J, Alfieri, A, Mapelli, M. | Deposit date: | 2018-08-13 | Release date: | 2019-05-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.31 Å) | Cite: | Hexameric NuMA:LGN structures promote multivalent interactions required for planar epithelial divisions. Nat Commun, 10, 2019
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