4CY7
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![BU of 4cy7 by Molmil](/molmil-images/mine/4cy7) | Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form II | Descriptor: | ACETATE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Kosinova, L, Veverka, V, Novotna, P, Collinsova, M, Urbanova, M, Jiracek, J, Moody, N.R, Turkenburg, J.P, Brzozowski, A.M, Zakova, L. | Deposit date: | 2014-04-10 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin. Biochemistry, 53, 2014
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3V8X
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![BU of 3v8x by Molmil](/molmil-images/mine/3v8x) | The crystal structure of transferrin binding protein A (TbpA) from Neisserial meningitidis serogroup B in complex with full length human transferrin | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Noinaj, N, Easley, N, Buchanan, S.K. | Deposit date: | 2011-12-23 | Release date: | 2012-02-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for iron piracy by pathogenic Neisseria. Nature, 483, 2012
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7K79
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![BU of 7k79 by Molmil](/molmil-images/mine/7k79) | CBF3 | Descriptor: | Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, Suppressor of kinetochore protein 1 | Authors: | Ruifang, G, Yawen, B. | Deposit date: | 2020-09-22 | Release date: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation. Nat Commun, 12, 2021
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1NUV
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![BU of 1nuv by Molmil](/molmil-images/mine/1nuv) | The Leadzyme Ribozyme Bound to Mg(H2O)6(II) and Sr(II) at 1.8 A resolution | Descriptor: | 5'-R(*CP*GP*GP*AP*CP*CP*GP*AP*GP*CP*CP*AP*G)-3', 5'-R(*GP*CP*UP*GP*GP*GP*AP*GP*UP*CP*C)-3', MAGNESIUM ION, ... | Authors: | Wedekind, J.E, Mckay, D.B. | Deposit date: | 2003-02-01 | Release date: | 2003-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of the leadzyme at 1.8 A resolution: metal ion binding and the implications
for catalytic mechanism and allo site ion regulation. BIOCHEMISTRY, 42, 2003
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5BTC
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![BU of 5btc by Molmil](/molmil-images/mine/5btc) | Crystal structure of a topoisomerase II complex | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-02 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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4LP0
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![BU of 4lp0 by Molmil](/molmil-images/mine/4lp0) | Crystal structure of a topoisomerase ATP inhibitor | Descriptor: | 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid, Topoisomerase IV subunit B | Authors: | Basarab, G.S, Manchester, J.I, Bist, S, Boriack-Sjodin, P.A, Dangel, B, Illingsworth, R, Uria-Nickelsen, M, Sherer, B.A, Sriram, S, Eakin, A.E. | Deposit date: | 2013-07-14 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents. J.Med.Chem., 56, 2013
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1IKQ
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![BU of 1ikq by Molmil](/molmil-images/mine/1ikq) | Pseudomonas Aeruginosa Exotoxin A, wild type | Descriptor: | CHLORIDE ION, EXOTOXIN A, SODIUM ION | Authors: | McKay, D.B, Wedekind, J.E, Trame, C.B. | Deposit date: | 2001-05-04 | Release date: | 2001-12-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A
and its Implications for the Molecular Mechanism of Toxicity J.Mol.Biol., 314, 2001
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3NGT
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![BU of 3ngt by Molmil](/molmil-images/mine/3ngt) | Structure of Leishmania NDKb complexed with AMP. | Descriptor: | ADENOSINE MONOPHOSPHATE, Nucleoside diphosphate kinase | Authors: | Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T. | Deposit date: | 2010-06-13 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding. Mol Biosyst, 7, 2011
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6L3V
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![BU of 6l3v by Molmil](/molmil-images/mine/6l3v) | The R15G mutant of human Cx31.3/GJC3 connexin hemichannel | Descriptor: | Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol | Authors: | Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S. | Deposit date: | 2019-10-15 | Release date: | 2020-09-09 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel. Sci Adv, 6, 2020
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3QUM
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![BU of 3qum by Molmil](/molmil-images/mine/3qum) | Crystal structure of human prostate specific antigen (PSA) in Fab sandwich with a high affinity and a PCa selective antibody | Descriptor: | Fab 5D3D11 Heavy Chain, Fab 5D3D11 Light Chain, Fab 5D5A5 Heavy Chain, ... | Authors: | Stura, E.A, Muller, B.H, Michel, S, Ducancel, F. | Deposit date: | 2011-02-24 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of human prostate-specific antigen in a sandwich antibody complex. J.Mol.Biol., 414, 2011
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4BNR
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![BU of 4bnr by Molmil](/molmil-images/mine/4bnr) | Extremely stable complex of crayfish trypsin with bovine trypsin inhibitor | Descriptor: | CALCIUM ION, HEPATOPANCREAS TRYPSIN, PANCREATIC TRYPSIN INHIBITOR, ... | Authors: | Molnar, T, Voros, J, Szeder, B, Takats, K, Kardos, J, Katona, G, Graf, L. | Deposit date: | 2013-05-17 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Comparison of Complexes Formed by a Crustacean and a Vertebrate Trypsin with Bovine Pancreatic Trypsin Inhibitor - the Key to Achieving Extreme Stability? FEBS J., 280, 2013
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7DCK
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![BU of 7dck by Molmil](/molmil-images/mine/7dck) | Crystal structure of phosphodiesterase tw9814 | Descriptor: | Lactamase_B domain-containing protein, MANGANESE (II) ION | Authors: | Heo, Y, Yun, J.H, Park, J.H, Park, S.B, Cha, S.S, Lee, W. | Deposit date: | 2020-10-26 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural and functional identification of the uncharacterized metallo-beta-lactamase superfamily protein TW9814 as a phosphodiesterase with unique metal coordination. Acta Crystallogr D Struct Biol, 78, 2022
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4CCR
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![BU of 4ccr by Molmil](/molmil-images/mine/4ccr) | Crystal structure of the thioredoxin reductase apoenzyme from Entamoeba histolytica in the absence of the NADP cofactor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, THIOREDOXIN REDUCTASE | Authors: | Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | Deposit date: | 2013-10-25 | Release date: | 2014-11-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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2SPZ
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![BU of 2spz by Molmil](/molmil-images/mine/2spz) | STAPHYLOCOCCAL PROTEIN A, Z-DOMAIN, NMR, 10 STRUCTURES | Descriptor: | IMMUNOGLOBULIN G BINDING PROTEIN A | Authors: | Montelione, G.T, Tashiro, M, Tejero, R, Lyons, B.A. | Deposit date: | 1998-07-29 | Release date: | 1998-08-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-resolution solution NMR structure of the Z domain of staphylococcal protein A. J.Mol.Biol., 272, 1997
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3NCA
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![BU of 3nca by Molmil](/molmil-images/mine/3nca) | X-ray structure of ketohexokinase in complex with a thieno pyridinol compound | Descriptor: | Ketohexokinase, SULFATE ION, thieno[3,2-b]pyridin-7-ol | Authors: | Abad, M.C, Gibbs, A.C, Spurlino, J.C. | Deposit date: | 2010-06-04 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. J.Med.Chem., 53, 2010
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4E3C
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![BU of 4e3c by Molmil](/molmil-images/mine/4e3c) | X-ray crystal structure of human IKK2 in an active conformation | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit beta | Authors: | Polley, S, Huang, D.B, Hauenstein, A.V, Ghosh, G, Huxford, T. | Deposit date: | 2012-03-09 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.98 Å) | Cite: | X-ray crystal structure of human IKK2 in an active conformation Plos.Biol., 2013
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3A3T
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![BU of 3a3t by Molmil](/molmil-images/mine/3a3t) | The oxidoreductase NmDsbA1 from N. meningitidis | Descriptor: | Thiol:disulfide interchange protein DsbA | Authors: | Vivian, J.P, Scoullar, J, Bushell, S, Beddoe, T, Wilce, M.C.J, Byres, E, Boyle, T.P, Rimmer, K, Doak, B, Simpson, J.S, Graham, B, Heras, B, Kahler, C.M, Rossjohn, J, Scanlon, M.J. | Deposit date: | 2009-06-19 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and function of the oxidoreductase DsbA1 from Neisseria meningitidis J.Mol.Biol., 394, 2009
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4MNE
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![BU of 4mne by Molmil](/molmil-images/mine/4mne) | Crystal structure of the BRAF:MEK1 complex | Descriptor: | 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | Deposit date: | 2013-09-10 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8483 Å) | Cite: | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling. Cancer Cell, 26, 2014
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6J1U
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![BU of 6j1u by Molmil](/molmil-images/mine/6j1u) | influenza virus nucleoprotein with a specific inhibitor | Descriptor: | Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | Authors: | Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle. J.Virol., 95, 2021
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2V03
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![BU of 2v03 by Molmil](/molmil-images/mine/2v03) | High resolution structure and catalysis of an O-acetylserine sulfhydrylase | Descriptor: | CITRIC ACID, Cysteine synthase B, GLYCEROL, ... | Authors: | Zocher, G, Wiesand, U, Schulz, G.E. | Deposit date: | 2007-05-08 | Release date: | 2007-10-09 | Last modified: | 2018-07-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | High resolution structure and catalysis of O-acetylserine sulfhydrylase isozyme B from Escherichia coli. FEBS J., 274, 2007
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4MLV
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![BU of 4mlv by Molmil](/molmil-images/mine/4mlv) | Crystal Structure of Bacillus megaterium porphobilinogen deaminase | Descriptor: | 3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid, 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, ACETIC ACID, ... | Authors: | Azim, N, Deery, E, Warren, M.J, Erskine, P, Cooper, J.B, Coker, A, Wood, S.P, Akhtar, M. | Deposit date: | 2013-09-06 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.455 Å) | Cite: | Structural evidence for the partially oxidized dipyrromethene and dipyrromethanone forms of the cofactor of porphobilinogen deaminase: structures of the Bacillus megaterium enzyme at near-atomic resolution. Acta Crystallogr.,Sect.D, 70, 2014
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4YD0
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![BU of 4yd0 by Molmil](/molmil-images/mine/4yd0) | Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor | Descriptor: | 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2015-02-20 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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2VA9
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![BU of 2va9 by Molmil](/molmil-images/mine/2va9) | Structure of native TcAChE after a 9 seconds annealing to room temperature during the first 5 seconds of which laser irradiation at 266nm took place | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | Deposit date: | 2007-08-30 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
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1OKA
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![BU of 1oka by Molmil](/molmil-images/mine/1oka) | RNA/DNA CHIMERA, NMR | Descriptor: | RNA/DNA CHIMERA (R(CCCA)D(AATGA)(DOT)D(TCATTTGGG)) | Authors: | Salazar, M, Fedoroff, O.Y, Reid, B.R. | Deposit date: | 1996-04-19 | Release date: | 1996-11-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of chimeric duplex junctions: solution conformation of the retroviral Okazaki-like fragment r(ccca)d(AATGA).d(TCATTTGGG) from Moloney murine leukemia virus. Biochemistry, 35, 1996
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6J3H
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![BU of 6j3h by Molmil](/molmil-images/mine/6j3h) | Crystal structure of the glutathione S-transferase, CsGST83044, of Ceriporiopsis subvermispora in complex with glutathione | Descriptor: | GLUTATHIONE, Glutathione S-transferase | Authors: | Osman, W.H.W, Mikami, B, Saka, N, Kondo, K, Nagata, T, Katahira, M. | Deposit date: | 2019-01-04 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of key residues for activities of atypical glutathione S-transferase of Ceriporiopsis subvermispora, a selective degrader of lignin in woody biomass, by crystallography and functional mutagenesis. Int.J.Biol.Macromol., 132, 2019
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