4N2I
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![BU of 4n2i by Molmil](/molmil-images/mine/4n2i) | Crystal structure of Protein Arginine Deiminase 2 (D177A, 10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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2O95
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![BU of 2o95 by Molmil](/molmil-images/mine/2o95) | Crystal Structure of the Metal-Free Dimeric Human Mov34 MPN domain (residues 1-186) | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 26S proteasome non-ATPase regulatory subunit 7, DODECAETHYLENE GLYCOL, ... | Authors: | Sanches, M, Alves, B.S.C, Zanchin, N.I.T, Guimaraes, B.G. | Deposit date: | 2006-12-13 | Release date: | 2007-07-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of the Human Mov34 MPN Domain Reveals a Metal-free Dimer J.Mol.Biol., 370, 2007
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3MOL
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![BU of 3mol by Molmil](/molmil-images/mine/3mol) | Structure of dimeric holo HasAp H32A Mutant from Pseudomonas aeruginosa to 1.20A Resolution | Descriptor: | Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Jepkorir, G, Rodriguez, J.C, Rui, H, Im, W, Alontaga, A.Y, Yukl, E, Moenne-Loccoz, P, Rivera, M. | Deposit date: | 2010-04-22 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa. J.Am.Chem.Soc., 132, 2010
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3MHT
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![BU of 3mht by Molmil](/molmil-images/mine/3mht) | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH UNMODIFIED DNA AND ADOHCY | Descriptor: | DNA (5'-D(*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), PROTEIN (HHAI METHYLTRANSFERASE (E.C.2.1.1.73)), ... | Authors: | O'Gara, M, Klimasauskas, S, Roberts, R.J, Cheng, X. | Deposit date: | 1996-07-24 | Release date: | 1997-01-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Enzymatic C5-cytosine methylation of DNA: mechanistic implications of new crystal structures for HhaL methyltransferase-DNA-AdoHcy complexes. J.Mol.Biol., 261, 1996
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1LU4
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![BU of 1lu4 by Molmil](/molmil-images/mine/1lu4) | 1.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF A SECRETED MYCOBACTERIUM TUBERCULOSIS DISULFIDE OXIDOREDUCTASE HOMOLOGOUS TO E. COLI DSBE: IMPLICATIONS FOR FUNCTIONS | Descriptor: | SOLUBLE SECRETED ANTIGEN MPT53 | Authors: | Goulding, C.W, Apostol, M.I, Gleiter, S, Parseghian, A, Bardwell, J, Gennaro, M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-05-21 | Release date: | 2003-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Gram-positive DsbE Proteins Function Differently from Gram-negative DsbE Homologs: A STRUCTURE TO FUNCTION ANALYSIS OF DsbE FROM MYCOBACTERIUM TUBERCULOSIS. J.Biol.Chem., 279, 2004
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5C8I
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![BU of 5c8i by Molmil](/molmil-images/mine/5c8i) | Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide | Descriptor: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | Authors: | Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R. | Deposit date: | 2015-06-25 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION | Cite: | Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug. IUCrJ, 3, 2016
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3MHZ
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![BU of 3mhz by Molmil](/molmil-images/mine/3mhz) | 1.7A structure of 2-fluorohistidine labeled Protective Antigen | Descriptor: | CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Wimalasena, D.S, Janowiak, B.E, Miyagi, M, Sun, J, Hajduch, J, Pooput, C, Kirk, K.L, Bann, J.G. | Deposit date: | 2010-04-09 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation. Biochemistry, 49, 2010
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1L3G
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![BU of 1l3g by Molmil](/molmil-images/mine/1l3g) | NMR Structure of the DNA-binding Domain of Cell Cycle Protein, Mbp1(2-124) from Saccharomyces cerevisiae | Descriptor: | TRANSCRIPTION FACTOR Mbp1 | Authors: | Nair, M, McIntosh, P.B, Frenkiel, T.A, Kelly, G, Taylor, I.A, Smerdon, S.J, Lane, A.N. | Deposit date: | 2002-02-27 | Release date: | 2003-02-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structure of the DNA-Binding Domain of the Cell Cycle Protein Mbp1 from Saccharomyces cerevisiae Biochemistry, 42, 2003
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6FI6
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![BU of 6fi6 by Molmil](/molmil-images/mine/6fi6) | Crystal structure of ERK2 in complex with an adenosine derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Gelin, M, Labesse, G. | Deposit date: | 2018-01-17 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of ERK2 in complex with an adenosine derivative To be published
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8A6M
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3MKU
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![BU of 3mku by Molmil](/molmil-images/mine/3mku) | Structure of a Cation-bound Multidrug and Toxin Compound Extrusion (MATE) transporter | Descriptor: | Multi antimicrobial extrusion protein (Na(+)/drug antiporter) MATE-like MDR efflux pump, RUBIDIUM ION | Authors: | He, X, Szewczyk, P, Karyakin, A, Evin, M, Hong, W.-X, Zhang, Q, Chang, G. | Deposit date: | 2010-04-15 | Release date: | 2010-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of a cation-bound multidrug and toxic compound extrusion transporter. Nature, 467, 2010
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1KGN
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![BU of 1kgn by Molmil](/molmil-images/mine/1kgn) | R2F from Corynebacterium Ammoniagenes in its oxidised, Fe containing, form | Descriptor: | FE (III) ION, Ribonucleotide reductase protein R2F | Authors: | Hogbom, M, Huque, Y, Sjoberg, B.M, Nordlund, P. | Deposit date: | 2001-11-28 | Release date: | 2001-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the di-iron/radical protein of ribonucleotide reductase from Corynebacterium ammoniagenes. Biochemistry, 41, 2002
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3MSE
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![BU of 3mse by Molmil](/molmil-images/mine/3mse) | Crystal structure of C-terminal domain of PF110239. | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase, putative, ... | Authors: | Wernimont, A.K, Artz, J.D, Hutchinson, A, Sullivan, H, Weadge, J, Tempel, W, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Lin, Y.H, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-29 | Release date: | 2010-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of C-terminal domain of PF110239 To be Published
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1KHR
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6FJ3
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![BU of 6fj3 by Molmil](/molmil-images/mine/6fj3) | High resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist. | Descriptor: | ACETIC ACID, CHLORIDE ION, OLEIC ACID, ... | Authors: | Ehrenmann, J, Schoppe, J, Klenk, C, Rappas, M, Kummer, L, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-01-19 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist. Nat. Struct. Mol. Biol., 25, 2018
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6FLD
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![BU of 6fld by Molmil](/molmil-images/mine/6fld) | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-01-25 | Release date: | 2018-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6HOK
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![BU of 6hok by Molmil](/molmil-images/mine/6hok) | Structure of Beclin1 LIR (S96E) motif bound to GABARAP | Descriptor: | 1,2-ETHANEDIOL, Beclin-1,Gamma-aminobutyric acid receptor-associated protein | Authors: | Mouilleron, S, Birgisdottir, A.B, Bhujbal, Z, Wirth, M, Sjottem, E, Evjen, G, Zhang, W, Lee, R, O'Reilly, N, Tooze, S, Lamark, T, Johansen, T. | Deposit date: | 2018-09-17 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs. Autophagy, 15, 2019
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5CJV
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![BU of 5cjv by Molmil](/molmil-images/mine/5cjv) | Isobutyryl-CoA mutase fused with bound adenosylcobalamin, GDP, Mg (holo-IcmF/GDP), and substrate isovaleryl-coenzyme A | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jost, M, Drennan, C.L. | Deposit date: | 2015-07-15 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases. J.Biol.Chem., 290, 2015
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6HWH
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![BU of 6hwh by Molmil](/molmil-images/mine/6hwh) | Structure of a functional obligate respiratory supercomplex from Mycobacterium smegmatis | Descriptor: | CARDIOLIPIN, COPPER (II) ION, Co-purified unknown peptide built as polyALA, ... | Authors: | Wiseman, B, Nitharwal, R.G, Fedotovskaya, O, Schafer, J, Guo, H, Kuang, Q, Benlekbir, S, Sjostrand, D, Adelroth, P, Rubinstein, J.L, Brzezinski, P, Hogbom, M. | Deposit date: | 2018-10-12 | Release date: | 2018-11-07 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of a functional obligate complex III2IV2respiratory supercomplex from Mycobacterium smegmatis. Nat. Struct. Mol. Biol., 25, 2018
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4MQ3
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![BU of 4mq3 by Molmil](/molmil-images/mine/4mq3) | |
5CM2
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![BU of 5cm2 by Molmil](/molmil-images/mine/5cm2) | Structure of Y. lipolytica Trm9-Trm112 complex, a methyltransferase modifying U34 in the anticodon loop of some tRNAs | Descriptor: | TRNA METHYLTRANSFERASE, TRNA METHYLTRANSFERASE ACTIVATOR SUBUNIT, ZINC ION | Authors: | Letoquart, J, van Tran, N, Caroline, V, Aleksandrov, A, Lazar, N, Van Tilbeurgh, H, Liger, D, Graille, M. | Deposit date: | 2015-07-16 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into molecular plasticity in protein complexes from Trm9-Trm112 tRNA modifying enzyme crystal structure. Nucleic Acids Res., 43, 2015
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1KN7
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![BU of 1kn7 by Molmil](/molmil-images/mine/1kn7) | Solution structure of the tandem inactivation domain (residues 1-75) of potassium channel RCK4 (Kv1.4) | Descriptor: | VOLTAGE-GATED POTASSIUM CHANNEL PROTEIN KV1.4 | Authors: | Wissmann, R, Bildl, W, Oliver, D, Beyermann, M, Kalbitzer, H.R, Bentrop, D, Fakler, B. | Deposit date: | 2001-12-18 | Release date: | 2003-05-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure and Function of the "Tandem Inactivation Domain" of the Neuronal A-type
Potassium Channel Kv1.4 J.Biol.Chem., 278, 2003
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6HZ3
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![BU of 6hz3 by Molmil](/molmil-images/mine/6hz3) | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT E243G | Descriptor: | CHLORIDE ION, Proton-gated ion channel | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-22 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6G88
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![BU of 6g88 by Molmil](/molmil-images/mine/6g88) | Crystal structure of Enterococcus Faecium D63r Penicillin-Binding protein 5 (PBP5fm) | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION | Authors: | Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P. | Deposit date: | 2018-04-08 | Release date: | 2019-04-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole. To Be Published
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5CJT
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![BU of 5cjt by Molmil](/molmil-images/mine/5cjt) | Isobutyryl-CoA mutase fused with bound adenosylcobalamin, GDP, Mg (holo-IcmF/GDP), and substrate isobutyryl-coenzyme A | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jost, M, Drennan, C.L. | Deposit date: | 2015-07-15 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases. J.Biol.Chem., 290, 2015
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