6NVW
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![BU of 6nvw by Molmil](/molmil-images/mine/6nvw) | Crystal structure of penicillin G acylase from Bacillus megaterium | Descriptor: | CALCIUM ION, Penicillin G acylase | Authors: | Blankenfeldt, W. | Deposit date: | 2019-02-05 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability. Appl.Microbiol.Biotechnol., 103, 2019
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8XZH
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![BU of 8xzh by Molmil](/molmil-images/mine/8xzh) | Cryo-EM structure of the MM07-bound human APLNR-Gi complex | Descriptor: | Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Wang, W, Ji, S, Zhang, Y. | Deposit date: | 2024-01-21 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure-based design of non-hypertrophic apelin receptor modulator. Cell, 187, 2024
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3O1O
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![BU of 3o1o by Molmil](/molmil-images/mine/3o1o) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-21 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase Nature, 468, 2010
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5URY
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![BU of 5ury by Molmil](/molmil-images/mine/5ury) | Crystal structure of Frizzled 5 CRD in complex with PAM | Descriptor: | Frizzled-5, PALMITOLEIC ACID, alpha-L-fucopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Mukund, S, Nile, A.H, Stanger, K, Hannoush, R.N, Wang, W. | Deposit date: | 2017-02-13 | Release date: | 2017-05-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Unsaturated fatty acyl recognition by Frizzled receptors mediates dimerization upon Wnt ligand binding. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2PZY
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![BU of 2pzy by Molmil](/molmil-images/mine/2pzy) | Structure of MK2 Complexed with Compound 76 | Descriptor: | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE | Authors: | White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B. | Deposit date: | 2007-05-18 | Release date: | 2007-07-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The discovery of carboline analogs as potent MAPKAP-K2 inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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6O2L
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![BU of 6o2l by Molmil](/molmil-images/mine/6o2l) | |
2Q0I
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![BU of 2q0i by Molmil](/molmil-images/mine/2q0i) | Structure of Pseudomonas Quinolone Signal Response Protein PqsE | Descriptor: | BENZOIC ACID, FE (III) ION, Quinolone signal response protein | Authors: | Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W. | Deposit date: | 2007-05-22 | Release date: | 2008-06-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein. Biochemistry, 48, 2009
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4TKI
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![BU of 4tki by Molmil](/molmil-images/mine/4tki) | Crystal Structure of human Tankyrase 2 in complex with BSI-201. | Descriptor: | 4-iodo-3-nitrobenzamide, ISOPROPYL ALCOHOL, 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: | 2014-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 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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3O1U
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![BU of 3o1u by Molmil](/molmil-images/mine/3o1u) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDV)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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4TJY
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![BU of 4tjy by Molmil](/molmil-images/mine/4tjy) | Crystal Structure of human Tankyrase 2 in complex with ABT-888. | Descriptor: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-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 (1.9 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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5V7N
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![BU of 5v7n by Molmil](/molmil-images/mine/5v7n) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and 2-Keto-D-gluconic acid | Descriptor: | 2-keto-D-gluconic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shabalin, I.G, Handing, K.B, Miks, C.D, Kutner, J, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-03-20 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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3O5W
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![BU of 3o5w by Molmil](/molmil-images/mine/3o5w) | Binding of kinetin in the active site of mistletoe lectin I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Malecki, P.H, Meyer, A, Rypniewski, W, Szymanski, M, Barciszewski, J, Betzel, C. | Deposit date: | 2010-07-28 | Release date: | 2011-09-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding of the plant hormone kinetin in the active site of Mistletoe Lectin I from Viscum album. Biochim.Biophys.Acta, 1824, 2012
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1YIS
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![BU of 1yis by Molmil](/molmil-images/mine/1yis) | Structural genomics of Caenorhabditis elegans: adenylosuccinate lyase | Descriptor: | SULFATE ION, adenylosuccinate lyase | Authors: | Symersky, J, Schormann, N, Lu, S, Zhang, Y, Karpova, E, Qiu, S, Huang, W, Cao, Z, Zhou, J, Luo, M, Arabshahi, A, McKinstry, A, Luan, C.-H, Luo, D, Johnson, D, An, J, Tsao, J, Delucas, L, Shang, Q, Gray, R, Li, S, Bray, T, Chen, Y.-J, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-01-12 | Release date: | 2005-01-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural genomics of Caenorhabditis elegans: adenylosuccinate lyase To be Published
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2PL5
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![BU of 2pl5 by Molmil](/molmil-images/mine/2pl5) | Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans | Descriptor: | GLYCEROL, Homoserine O-acetyltransferase | Authors: | Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W. | Deposit date: | 2007-04-19 | Release date: | 2007-11-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans Biochem.Biophys.Res.Commun., 363, 2007
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6NUF
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![BU of 6nuf by Molmil](/molmil-images/mine/6nuf) | Structure of Calcineurin in complex with NHE1 peptide | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, X, Page, R, Peti, W. | Deposit date: | 2019-01-31 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin. Nat Commun, 10, 2019
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5UYY
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![BU of 5uyy by Molmil](/molmil-images/mine/5uyy) | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine | Descriptor: | Prephenate dehydrogenase, TYROSINE | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-24 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain. Febs J., 287, 2020
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2PLW
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![BU of 2plw by Molmil](/molmil-images/mine/2plw) | Crystal structure of a ribosomal RNA methyltransferase, putative, from Plasmodium falciparum (PF13_0052). | Descriptor: | Ribosomal RNA methyltransferase, putative, S-ADENOSYLMETHIONINE, ... | Authors: | Wernimont, A.K, Hassanali, A, Lin, L, Lew, J, Zhao, Y, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-20 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a ribosomal RNA methyltransferase, putative, from Plasmodium falciparum (PF13_0052). To be Published
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2POC
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![BU of 2poc by Molmil](/molmil-images/mine/2poc) | The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, ACETATE ION, SODIUM ION, ... | Authors: | Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W. | Deposit date: | 2007-04-26 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans J.Mol.Biol., 372, 2007
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1Y3H
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![BU of 1y3h by Molmil](/molmil-images/mine/1y3h) | Crystal Structure of Inorganic Polyphosphate/ATP-NAD kinase from Mycobacterium tuberculosis | Descriptor: | Inorganic polyphosphate/ATP-NAD kinase | Authors: | Mori, S, Yamasaki, M, Maruyama, Y, Momma, K, kawai, S, Hashimoto, W, Mikami, B, Murata, K. | Deposit date: | 2004-11-24 | Release date: | 2005-01-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | NAD-binding mode and the significance of intersubunit contact revealed by the crystal structure of Mycobacterium tuberculosis NAD kinase-NAD complex BIOCHEM.BIOPHYS.RES.COMMUN., 327, 2005
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1YFK
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![BU of 1yfk by Molmil](/molmil-images/mine/1yfk) | Crystal structure of human B type phosphoglycerate mutase | Descriptor: | CHLORIDE ION, CITRIC ACID, Phosphoglycerate mutase 1 | Authors: | Wang, Y, Wei, Z, Liu, L, Gong, W. | Deposit date: | 2005-01-02 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human B-type phosphoglycerate mutase bound with citrate. Biochem.Biophys.Res.Commun., 331, 2005
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4RL0
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![BU of 4rl0 by Molmil](/molmil-images/mine/4rl0) | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | Descriptor: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | Authors: | Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W. | Deposit date: | 2014-10-14 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins. J.Am.Chem.Soc., 136, 2014
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6NTV
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![BU of 6ntv by Molmil](/molmil-images/mine/6ntv) | SFTSV L endonuclease domain | Descriptor: | RNA polymerase | Authors: | Wang, W, Amarasinghe, G.K. | Deposit date: | 2019-01-30 | Release date: | 2020-01-08 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target. Cell Rep, 30, 2020
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278D
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![BU of 278d by Molmil](/molmil-images/mine/278d) | |
3TA0
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![BU of 3ta0 by Molmil](/molmil-images/mine/3ta0) | A. fulgidus GlnK3, MgATP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II (GlnB-3) | Authors: | Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A. | Deposit date: | 2011-08-03 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate. Plos One, 6, 2011
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2PT9
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![BU of 2pt9 by Molmil](/molmil-images/mine/2pt9) | The structure of Plasmodium falciparum spermidine synthase in complex with decarboxylated S-adenosylmethionine and the inhibitor cis-4-methylcyclohexylamine (4MCHA) | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, GLYCEROL, ... | Authors: | Dufe, V.T, Qiu, W, Muller, I.B, Hui, R, Walter, R.D, Al-Karadaghi, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-08 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO. J.Mol.Biol., 373, 2007
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