8U4F
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4I2V
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![BU of 4i2v by Molmil](/molmil-images/mine/4i2v) | X-ray structure of the unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 2.12A resolution | Descriptor: | Uridine phosphorylase | Authors: | Lashkov, A.A, Balaev, V.V, Prokofev, I.I, Betzel, C, Gabdoulkhakov, A.G, Mikhailov, A.M. | Deposit date: | 2012-11-23 | Release date: | 2013-12-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.121 Å) | Cite: | X-ray structure of the unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 2.12A resolution To be Published
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8U49
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![BU of 8u49 by Molmil](/molmil-images/mine/8u49) | The Apo Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Araujo, E.A, Polikarpov, I. | Deposit date: | 2023-09-10 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9. Carbohydr Polym, 329, 2024
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6MNF
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![BU of 6mnf by Molmil](/molmil-images/mine/6mnf) | Anti-HIV-1 Fab 2G12 + Man8 re-refinement | Descriptor: | Fab 2G12, light chain, Fab 2g12, ... | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.758 Å) | Cite: | Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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5TW9
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![BU of 5tw9 by Molmil](/molmil-images/mine/5tw9) | 1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis. | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Iron uptake system component EfeO | Authors: | Minasov, G, Shuvalova, L, Flores, K, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-11-11 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis. To Be Published
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4ELK
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![BU of 4elk by Molmil](/molmil-images/mine/4elk) | Crystal structure of the Hy19.3 type II NKT TCR | Descriptor: | ACETATE ION, FORMIC ACID, Hy19.3 TCR alpha chain (mouse variable domain, ... | Authors: | Girardi, E, Maricic, I, Wang, J, Mac, T.T, Iyer, P, Kumar, V, Zajonc, D.M. | Deposit date: | 2012-04-10 | Release date: | 2012-07-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Type II natural killer T cells use features of both innate-like and conventional T cells to recognize sulfatide self antigens. Nat.Immunol., 13, 2012
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4NM8
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4XOI
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![BU of 4xoi by Molmil](/molmil-images/mine/4xoi) | Structure of hsAnillin bound with RhoA(Q63L) at 2.1 Angstroms resolution | Descriptor: | Actin-binding protein anillin, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sun, L, Guan, R, Lee, I.-J, Liu, Y, Chen, M, Wang, J, Wu, J, Chen, Z. | Deposit date: | 2015-01-16 | Release date: | 2015-07-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Mechanistic insights into the anchorage of the contractile ring by anillin and mid1 Dev.Cell, 33, 2015
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8TNV
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![BU of 8tnv by Molmil](/molmil-images/mine/8tnv) | Hemocyanin Functional Unit CCHB-g of Concholepas concholepas | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Munoz, S, Vallejos-Baccelliere, G, Manubens, A, Salazar, M, Nascimento, A.F.Z, Ambrosio, A.L.B, Becker, M.I, Guixe, V, Castro-Fernandez, V. | Deposit date: | 2023-08-02 | Release date: | 2024-04-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into a functional unit from an immunogenic mollusk hemocyanin. Structure, 32, 2024
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8TQV
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![BU of 8tqv by Molmil](/molmil-images/mine/8tqv) | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-08 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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1NAK
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![BU of 1nak by Molmil](/molmil-images/mine/1nak) | IGG1 FAB FRAGMENT (83.1) COMPLEX WITH 16-RESIDUE PEPTIDE (RESIDUES 304-321 OF HIV-1 GP120 (MN ISOLATE)) | Descriptor: | Fab 83.1 - heavy chain, Fab 83.1 - light chain, Peptide MP1 | Authors: | Stanfield, R.L, Ghiara, J.B, Saphire, E.O, Profy, A.T, Wilson, I.A. | Deposit date: | 2002-11-27 | Release date: | 2003-11-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Recurring conformation of the human immunodeficiency virus type 1 gp120 V3 loop. Virology, 315, 2003
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1WPN
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![BU of 1wpn by Molmil](/molmil-images/mine/1wpn) | Crystal structure of the N-terminal core of Bacillus subtilis inorganic pyrophosphatase | Descriptor: | MANGANESE (II) ION, Manganese-dependent inorganic pyrophosphatase, SULFATE ION | Authors: | Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A. | Deposit date: | 2004-09-09 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion Biochemistry, 43, 2004
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4F15
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![BU of 4f15 by Molmil](/molmil-images/mine/4f15) | Molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses | Descriptor: | Fab fragment, heavy chain, light chain, ... | Authors: | Kim, K.H, Cho, K.J, Lee, J.H, Park, Y.H, Khan, T.G, Lee, J.Y, Kang, S.H, Alam, I. | Deposit date: | 2012-05-06 | Release date: | 2013-05-15 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses To be Published
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8TRY
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![BU of 8try by Molmil](/molmil-images/mine/8try) | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348 | Descriptor: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-10 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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8TR4
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![BU of 8tr4 by Molmil](/molmil-images/mine/8tr4) | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-09 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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5U7R
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![BU of 5u7r by Molmil](/molmil-images/mine/5u7r) | Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones | Descriptor: | (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2016-12-12 | Release date: | 2017-03-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones. Bioorg. Med. Chem., 25, 2017
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6N7M
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![BU of 6n7m by Molmil](/molmil-images/mine/6n7m) | 1.78 Angstrom Resolution Crystal Structure of Hypothetical Protein CD630_05490 from Clostridioides difficile 630. | Descriptor: | Hypothetical Protein CD630_05490 | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-11-27 | Release date: | 2018-12-12 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 1.78 Angstrom Resolution Crystal Structure of Hypothetical Protein CD630_05490 from Clostridioides difficile 630. To Be Published
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3KVH
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![BU of 3kvh by Molmil](/molmil-images/mine/3kvh) | Crystal structure of human protein syndesmos (NUDT16-like protein) | Descriptor: | CHLORIDE ION, GLYCEROL, Protein syndesmos | Authors: | Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human protein syndesmos (NUDT16L1) To be Published
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4IHM
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![BU of 4ihm by Molmil](/molmil-images/mine/4ihm) | G215S, A251G, T257A, D260G, T262D mutant of carboxypeptidase T from Thermoactinomyces vulgaris | Descriptor: | CALCIUM ION, Carboxypeptidase T, GLYCEROL, ... | Authors: | Timofeev, V.I, Kuznetsov, S.A, Akparov, V.K, Kuranova, I.P. | Deposit date: | 2012-12-19 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | G215S, A251G, T257A, D260G, T262D mutant of carboxypeptidase T from Thermoactinomyces vulgaris To be published
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7FHT
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![BU of 7fht by Molmil](/molmil-images/mine/7fht) | Crystal structure of DYRK1A in complex with RD0448 | Descriptor: | (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Kikuchi, M, Sumida, Y, Hosoya, T, Kii, I, Umehara, T. | Deposit date: | 2021-07-30 | Release date: | 2022-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A. Eur.J.Med.Chem., 227, 2022
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7L6J
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![BU of 7l6j by Molmil](/molmil-images/mine/7l6j) | Crystal Structure of the Putative Hydrolase from Stenotrophomonas maltophilia | Descriptor: | CHLORIDE ION, FORMIC ACID, Putative hydrolase, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-12-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of the Putative Hydrolase from Stenotrophomonas maltophilia To Be Published
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7L6Z
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![BU of 7l6z by Molmil](/molmil-images/mine/7l6z) | Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (PpiB) Streptococcus pneumoniae R6 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-24 | Release date: | 2021-12-01 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (PpiB) Streptococcus pneumoniae R6 To Be Published
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4IJK
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![BU of 4ijk by Molmil](/molmil-images/mine/4ijk) | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 | Descriptor: | 3-ketoacyl-acyl carrier protein reductase (FabG), SODIUM ION | Authors: | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I.G, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-21 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 To be Published
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6N52
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![BU of 6n52 by Molmil](/molmil-images/mine/6n52) | Metabotropic Glutamate Receptor 5 Apo Form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5 | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
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4IK2
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![BU of 4ik2 by Molmil](/molmil-images/mine/4ik2) | G215S, A251G, T257A, D260G, T262D mutant of carboxypeptidase T from Thermoactinomyces vulgaris with N-BOC-L-Leu | Descriptor: | CALCIUM ION, Carboxypeptidase T, N-(tert-butoxycarbonyl)-L-leucine, ... | Authors: | Timofeev, V.I, Kuznetsov, S.A, Akparov, V.K, Kuranova, I.P. | Deposit date: | 2012-12-25 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | G215S, A251G, T257A, D260G, T262D mutant of carboxypeptidase T from Thermoactinomyces vulgaris with N-BOC-L-Leu To be published
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