4KZD
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![BU of 4kzd by Molmil](/molmil-images/mine/4kzd) | Crystal structure of an RNA aptamer in complex with fluorophore and Fab | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, BL3-6 Fab antibody, heavy chain, ... | Authors: | Huang, H, Suslov, N.B, Li, N, Koldobskaya, Y, Rice, P.A, Piccirilli, J.A. | Deposit date: | 2013-05-29 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.186 Å) | Cite: | A G-quadruplex-containing RNA activates fluorescence in a GFP-like fluorophore. Nat.Chem.Biol., 10, 2014
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4L05
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![BU of 4l05 by Molmil](/molmil-images/mine/4l05) | Cu/Zn superoxide dismutase from Brucella abortus | Descriptor: | COPPER (I) ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Shin, D.S, Didonato, M, Pratt, A.J, Bruns, C.K, Cabelli, D.E, Kroll, J.S, Belzer, C.A, Tabatabai, L.B, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2013-05-30 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.098 Å) | Cite: | Structural, Functional, and Immunogenic Insights on Cu,Zn Superoxide Dismutase Pathogenic Virulence Factors from Neisseria meningitidis and Brucella abortus. J.Bacteriol., 197, 2015
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2BNK
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![BU of 2bnk by Molmil](/molmil-images/mine/2bnk) | The structure of phage phi29 replication organizer protein p16.7 | Descriptor: | EARLY PROTEIN GP16.7 | Authors: | Albert, A, Asensio, J.L, Munoz-Espin, D, Gonzalez, C, Hermoso, J.A, Villar, L, Jimenez-Barbero, J, Salas, M, Meijer, W.J.J. | Deposit date: | 2005-03-28 | Release date: | 2005-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Functional Domain of {Varphi}29 Replication Organizer: Insights Into Oligomerization and DNA Binding. J.Biol.Chem., 280, 2005
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1LQ8
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![BU of 1lq8 by Molmil](/molmil-images/mine/1lq8) | Crystal structure of cleaved protein C inhibitor | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Huntington, J.A, Kjellberg, M, Stenflo, J. | Deposit date: | 2002-05-09 | Release date: | 2003-02-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Protein C Inhibitor Provides Insights into Hormone Binding and Heparin Activation Structure, 11, 2003
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2BSX
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![BU of 2bsx by Molmil](/molmil-images/mine/2bsx) | Crystal structure of the Plasmodium falciparum purine nucleoside phosphorylase complexed with inosine | Descriptor: | INOSINE, PURINE NUCLEOSIDE PHOSPHORYLASE | Authors: | Schnick, C, Brzozowski, A.M, Dodson, E.J, Murshudov, G.N, Brannigan, J.A, Wilkinson, A.J. | Deposit date: | 2005-05-24 | Release date: | 2005-08-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Plasmodium Falciparum Purine Nucleoside Phosphorylase Complexed with Sulfate and its Natural Substrate Inosine Acta Crystallogr.,Sect.D, 61, 2005
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1LRQ
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![BU of 1lrq by Molmil](/molmil-images/mine/1lrq) | Aquifex aeolicus KDO8P synthase H185G mutant in complex with PEP, A5P and Cadmium | Descriptor: | ARABINOSE-5-PHOSPHATE, CADMIUM ION, KDO-8-phosphate synthetase, ... | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
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1LS5
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![BU of 1ls5 by Molmil](/molmil-images/mine/1ls5) | Crystal structure of plasmepsin IV from P. falciparum in complex with pepstatin A | Descriptor: | Pepstatin, plasmepsin IV | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | Deposit date: | 2002-05-16 | Release date: | 2002-06-12 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum. J.Mol.Biol., 327, 2003
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7N8W
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![BU of 7n8w by Molmil](/molmil-images/mine/7n8w) | |
7N8V
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![BU of 7n8v by Molmil](/molmil-images/mine/7n8v) | |
4LC8
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![BU of 4lc8 by Molmil](/molmil-images/mine/4lc8) | Crystal structure of the mutant H128N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 1,2-ETHANEDIOL, 6-HYDROXYURIDINE-5'-PHOSPHATE, CHLORIDE ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-06-21 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.318 Å) | Cite: | Crystal structure of the mutant H128N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP To be Published
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5CFP
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![BU of 5cfp by Molmil](/molmil-images/mine/5cfp) | Crystal structure of anemone STING (Nematostella vectensis) 'humanized' F276K in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p]' | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.066 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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1KYP
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![BU of 1kyp by Molmil](/molmil-images/mine/1kyp) | Crystal Structure of an Apo Green Fluorescent Protein Zn Biosensor | Descriptor: | Green Fluorescent Protein, MAGNESIUM ION | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-02-05 | Release date: | 2002-04-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural chemistry of a green fluorescent protein Zn biosensor. J.Am.Chem.Soc., 124, 2002
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4JML
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![BU of 4jml by Molmil](/molmil-images/mine/4jml) | |
2BW2
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![BU of 2bw2 by Molmil](/molmil-images/mine/2bw2) | BofC from Bacillus subtilis | Descriptor: | BYPASS OF FORESPORE C | Authors: | Patterson, H.M, Brannigan, J.A, Cutting, S.M, Wilson, K.S, Wilkinson, A.J, Ab, E, Diercks, T, Folkers, G.E, de Jong, R.N, Truffault, V, Kaptein, R. | Deposit date: | 2005-07-08 | Release date: | 2005-09-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The structure of bypass of forespore C, an intercompartmental signaling factor during sporulation in Bacillus. J. Biol. Chem., 280, 2005
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4JFY
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![BU of 4jfy by Molmil](/molmil-images/mine/4jfy) | Apo structure of phosphotyrosine (pYAb) scaffold | Descriptor: | Fab heavy chain, Fab light chain, TETRAETHYLENE GLYCOL | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Nature-inspired design of motif-specific antibody scaffolds. Nat.Biotechnol., 31, 2013
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5CNK
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![BU of 5cnk by Molmil](/molmil-images/mine/5cnk) | mglur3 with glutamate | Descriptor: | GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3 | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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5CFO
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![BU of 5cfo by Molmil](/molmil-images/mine/5cfo) | Crystal structure of anemone STING (Nematostella vectensis) in apo 'rotated' open conformation | Descriptor: | Stimulator of Interferon Genes | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling. Mol.Cell, 59, 2015
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7LWD
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![BU of 7lwd by Molmil](/molmil-images/mine/7lwd) | Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ... | Authors: | Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J. | Deposit date: | 2021-03-01 | Release date: | 2021-08-11 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter. Nat Commun, 12, 2021
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4JR1
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![BU of 4jr1 by Molmil](/molmil-images/mine/4jr1) | Human procaspase-7 bound to Ac-DEVD-CMK | Descriptor: | Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7 | Authors: | Thomsen, N.D, Wells, J.A. | Deposit date: | 2013-03-20 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JD7
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![BU of 4jd7 by Molmil](/molmil-images/mine/4jd7) | Crystal structure of pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group P212121, bound sulfate | Descriptor: | Proline racemase, SULFATE ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-24 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group P212121, bound sulfate To be Published
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1N0N
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![BU of 1n0n by Molmil](/molmil-images/mine/1n0n) | Catalytic and Structural Effects of Amino-Acid Substitution at His30 in Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | Authors: | Borgstahl, G.E.O, Parge, H.E, Hickey, M.J, Beyer Jr, W.F, Hallewell, R.A, Tainer, J.A. | Deposit date: | 2002-10-14 | Release date: | 2002-11-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Catalytic and Structural Effects of Amino-Acid Substitution at His30 in Human Manganese Superoxide Dismutase to be published
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4JED
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![BU of 4jed by Molmil](/molmil-images/mine/4jed) | Crystal structure of glutathione s-transferase mrad2831_1084 (target efi-507060) from methylobacterium radiotolerans jcm 2831, complex with glutathione sulfonate | Descriptor: | GLUTATHIONE S-TRANSFERASE, GLUTATHIONE SULFONIC ACID, GLYCEROL | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-26 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of glutathione S-transferase (TARGET EFI-507060) from Methylobacterium radiotolerans To be Published
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7LVP
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![BU of 7lvp by Molmil](/molmil-images/mine/7lvp) | Cryptococcus neoformans AIR synthetase | Descriptor: | 1,2-ETHANEDIOL, AIR synthase, GLYCINE, ... | Authors: | Chua, S.M.H, Luo, Z, Lim, B.Y.J, Kobe, B, Fraser, J.A. | Deposit date: | 2021-02-26 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural features of Cryptococcus neoformans bifunctional GAR/AIR synthetase may present novel antifungal drug targets. J.Biol.Chem., 297, 2021
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5BT5
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![BU of 5bt5 by Molmil](/molmil-images/mine/5bt5) | Crystal structure of BRD2 second bromodomain in complex with SGC-CBP30 chemical probe | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Bromodomain-containing protein 2 | Authors: | Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-02 | Release date: | 2015-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of BRD2 second bromodomain in complex with a 3,5-dimethylisoxazol ligand To Be Published
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5BOP
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![BU of 5bop by Molmil](/molmil-images/mine/5bop) | Crystal structure of the artificial nanobody octarellinV.1 complex | Descriptor: | Nanobody, Octarellin V.1 | Authors: | Figueroa, M, Sleutel, M, Pardon, E, Steyaert, J, Martial, J.A, van de Weerdt, C. | Deposit date: | 2015-05-27 | Release date: | 2016-05-25 | Last modified: | 2016-06-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools. J.Struct.Biol., 195, 2016
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