1DMI
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![BU of 1dmi by Molmil](/molmil-images/mine/1dmi) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 6S-H4B | Descriptor: | 6S-5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Kotsonis, P, Pfleiderer, W, Schmidt, H.H.H.W, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-12-14 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with the Pterin Analogues To be Published
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6O25
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![BU of 6o25 by Molmil](/molmil-images/mine/6o25) | Crystal structure of 3945 Fab in complex with circumsporozoite protein NANP3 and anti-Kappa VHH domain | Descriptor: | 3945 Fab heavy chain, 3945 Kappa light chain, Anti-Kappa VHH domain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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6WES
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![BU of 6wes by Molmil](/molmil-images/mine/6wes) | Crystal structure of the effector SnTox3 from Parastagonospora nodorum | Descriptor: | Tox3 | Authors: | Outram, M.A, Williams, S.J, Ericsson, D.J, Kobe, B, Solomon, P.S. | Deposit date: | 2020-04-02 | Release date: | 2020-11-04 | Last modified: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | The crystal structure of SnTox3 from the necrotrophic fungus Parastagonospora nodorum reveals a unique effector fold and provides insight into Snn3 recognition and pro-domain protease processing of fungal effectors. New Phytol., 231, 2021
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4FZC
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![BU of 4fzc by Molmil](/molmil-images/mine/4fzc) | 20S yeast proteasome in complex with cepafungin I | Descriptor: | Cepafungin I, Proteasome component C1, Proteasome component C11, ... | Authors: | Stein, M, Beck, P, Kaiser, M, Dudler, R, Becker, C.F.W, Groll, M. | Deposit date: | 2012-07-06 | Release date: | 2012-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | One-shot NMR analysis of microbial secretions identifies highly potent proteasome inhibitor. Proc.Natl.Acad.Sci.USA, 109, 2012
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5GJ9
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![BU of 5gj9 by Molmil](/molmil-images/mine/5gj9) | Crystal structure of Arabidopsis thaliana ACO2 in complex with POA | Descriptor: | 1-aminocyclopropane-1-carboxylate oxidase 2, PYRAZINE-2-CARBOXYLIC ACID, ZINC ION | Authors: | Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W. | Deposit date: | 2016-06-28 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase. Nat Commun, 8, 2017
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3PP4
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![BU of 3pp4 by Molmil](/molmil-images/mine/3pp4) | |
3N9H
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![BU of 3n9h by Molmil](/molmil-images/mine/3n9h) | Crystal Structural of mutant Y305A in the copper amine oxidase from hansenula polymorpha | Descriptor: | COPPER (II) ION, Peroxisomal primary amine oxidase | Authors: | Chen, Z, Datta, S, DuBois, J.L, Klinman, J.P, Mathews, F.S. | Deposit date: | 2010-05-30 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutation at a strictly conserved, active site tyrosine in the copper amine oxidase leads to uncontrolled oxygenase activity. Biochemistry, 49, 2010
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4TKF
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![BU of 4tkf by Molmil](/molmil-images/mine/4tkf) | Crystal Structure of human Tankyrase 2 in complex with IWR-1. | Descriptor: | 3-aminobenzamide, 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-26 | Release date: | 2014-11-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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2YIS
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![BU of 2yis by Molmil](/molmil-images/mine/2yis) | triazolopyridine inhibitors of p38 kinase. | Descriptor: | 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. | Deposit date: | 2011-05-16 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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6FN1
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![BU of 6fn1 by Molmil](/molmil-images/mine/6fn1) | Zosuquidar and UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Human-mouse chimeric ABCB1 (ABCBHM), UIC2 Antigen Binding Fragment Heavy Chain, ... | Authors: | Alam, A, Locher, K.P. | Deposit date: | 2018-02-02 | Release date: | 2018-02-21 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structure of a zosuquidar and UIC2-bound human-mouse chimeric ABCB1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6I6Z
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![BU of 6i6z by Molmil](/molmil-images/mine/6i6z) | |
2YKA
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![BU of 2yka by Molmil](/molmil-images/mine/2yka) | RRM domain of mRNA export adaptor REF2-I bound to HVS ORF57 peptide | Descriptor: | 52 KDA IMMEDIATE-EARLY PHOSPHOPROTEIN, RNA AND EXPORT FACTOR-BINDING PROTEIN 2 | Authors: | Tunnicliffe, R.B, Hautbergue, G.M, Kalra, P, Wilson, S.A, Golovanov, A.P. | Deposit date: | 2011-05-26 | Release date: | 2012-06-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Competitive and Cooperative Interactions Mediate RNA Transfer from Herpesvirus Saimiri Orf57 to the Mammalian Export Adaptor Alyref. Plos Pathog., 10, 2014
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4TOG
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![BU of 4tog by Molmil](/molmil-images/mine/4tog) | 1.80A resolution structure of BfrB (C89S, K96C) crystal form 2 from Pseudomonas aeruginosa | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterioferritin, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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5ONV
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![BU of 5onv by Molmil](/molmil-images/mine/5onv) | Cryo-EM structure of F-actin in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S. | Deposit date: | 2017-08-04 | Release date: | 2018-06-13 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM. Nat. Struct. Mol. Biol., 25, 2018
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6CMP
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![BU of 6cmp by Molmil](/molmil-images/mine/6cmp) | Closed structure of inactive SHP2 mutant C459E | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | Deposit date: | 2018-03-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
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1RGO
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![BU of 1rgo by Molmil](/molmil-images/mine/1rgo) | Structural Basis for Recognition of the mRNA Class II AU-Rich Element by the Tandem Zinc Finger Domain of TIS11d | Descriptor: | Butyrate response factor 2, RNA (5'-R(*UP*UP*AP*UP*UP*UP*AP*UP*U)-3'), ZINC ION | Authors: | Hudson, B.P, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | Deposit date: | 2003-11-12 | Release date: | 2004-03-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Recognition of the mRNA AU-rich element by the zinc finger domain of TIS11d. NAT.STRUCT.MOL.BIOL., 11, 2004
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5DNR
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![BU of 5dnr by Molmil](/molmil-images/mine/5dnr) | Aurora A Kinase in complex with ATP in space group P41212 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | Deposit date: | 2015-09-10 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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6NWZ
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![BU of 6nwz by Molmil](/molmil-images/mine/6nwz) | Crystal structure of Agd3 a novel carbohydrate deacetylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Bamford, N.C, Howell, P.L. | Deposit date: | 2019-02-07 | Release date: | 2020-02-12 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical characterization of the exopolysaccharide deacetylase Agd3 required for Aspergillus fumigatus biofilm formation. Nat Commun, 11, 2020
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6NXS
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![BU of 6nxs by Molmil](/molmil-images/mine/6nxs) | Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218Y mutant | Descriptor: | SODIUM ION, Triosephosphate isomerase, cytosolic | Authors: | Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G. | Deposit date: | 2019-02-09 | Release date: | 2020-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications. Plant J., 99, 2019
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4TJU
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![BU of 4tju by Molmil](/molmil-images/mine/4tju) | Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C. | Descriptor: | 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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5OSS
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![BU of 5oss by Molmil](/molmil-images/mine/5oss) | Beta-glucosidase from Thermotoga maritima in complex with Gluco-1H-imidazole | Descriptor: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol, 1,2-ETHANEDIOL, Beta-glucosidase A, ... | Authors: | Offen, W.A, Schroeder, S.P, Davies, G.J, Overkleeft, H.S. | Deposit date: | 2017-08-18 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor. J. Am. Chem. Soc., 140, 2018
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4NBP
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3GH8
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![BU of 3gh8 by Molmil](/molmil-images/mine/3gh8) | Crystal structure of Mus musculus iodotyrosine deiodinase (IYD) bound to FMN and di-iodotyrosine (DIT) | Descriptor: | 3,5-DIIODOTYROSINE, FLAVIN MONONUCLEOTIDE, Iodotyrosine dehalogenase 1, ... | Authors: | Thomas, S.R, McTamney, P.M, Adler, J.M, LaRonde-LeBlanc, N, Rokita, S.E. | Deposit date: | 2009-03-03 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of iodotyrosine deiodinase, a novel flavoprotein responsible for iodide salvage in thyroid glands. J.Biol.Chem., 284, 2009
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4DAS
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![BU of 4das by Molmil](/molmil-images/mine/4das) | Crystal structure of Bullfrog M ferritin | Descriptor: | 1,2-ETHANEDIOL, Ferritin, middle subunit, ... | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | Deposit date: | 2012-01-13 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes. J.Am.Chem.Soc., 134, 2012
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3HI7
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![BU of 3hi7 by Molmil](/molmil-images/mine/3hi7) | Crystal structure of human diamine oxidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, CALCIUM ION, ... | Authors: | McGrath, A.P, Guss, J.M. | Deposit date: | 2009-05-19 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Structure and inhibition of human diamine oxidase Biochemistry, 48, 2009
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