5H7X
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![BU of 5h7x by Molmil](/molmil-images/mine/5h7x) | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with 2-hydroxy-1,2,3-propane tricarboxylate at 1.76 A resolution | Descriptor: | CITRIC ACID, Phosphopantetheine adenylyltransferase | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-11-21 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and binding studies of phosphopantetheine adenylyl transferase from Acinetobacter baumannii. Biochim Biophys Acta Proteins Proteom, 1867, 2019
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6FMN
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![BU of 6fmn by Molmil](/molmil-images/mine/6fmn) | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)methyl)amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2018-02-01 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase. Chemistry, 24, 2018
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1XZ4
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![BU of 1xz4 by Molmil](/molmil-images/mine/1xz4) | Intersubunit Interactions Associated with Tyr42alpha Stabilize the Quaternary-T Tetramer but are not Major Quaternary Constraints in Deoxyhemoglobin: alphaY42A deoxyhemoglobin no-salt | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | Deposit date: | 2004-11-11 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin Biochemistry, 44, 2005
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1HGT
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![BU of 1hgt by Molmil](/molmil-images/mine/1hgt) | |
6RWM
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![BU of 6rwm by Molmil](/molmil-images/mine/6rwm) | SIVrcm intasome in complex with bictegravir | Descriptor: | Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ... | Authors: | Cherepanov, P, Nans, A, Cook, N. | Deposit date: | 2019-06-05 | Release date: | 2020-02-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structural basis of second-generation HIV integrase inhibitor action and viral resistance. Science, 367, 2020
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2BUJ
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![BU of 2buj by Molmil](/molmil-images/mine/2buj) | Crystal structure of the human Serine-threonine Kinase 16 in complex with staurosporine | Descriptor: | CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE 16, STAUROSPORINE | Authors: | Debreczeni, J.E, Eswaran, J, Bullock, A, Filippakopoulos, P, Kavanagh, K, Amos, A, Fedorov, O, Sobott, F, Ball, L.J, von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Knapp, S. | Deposit date: | 2005-06-13 | Release date: | 2005-07-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Human Serine-Threonine Kinase 16 in Complex with Staurosporine To be Published
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8B0S
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![BU of 8b0s by Molmil](/molmil-images/mine/8b0s) | SARS-COV-2 Main Protease adduct with Au(NHC)Cl | Descriptor: | 3C-like proteinase nsp5, GOLD ION | Authors: | Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L. | Deposit date: | 2022-09-08 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs. Biomolecules, 12, 2022
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6RIH
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![BU of 6rih by Molmil](/molmil-images/mine/6rih) | Crystal structure of PHGDH in complex with compound 9 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-24 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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2OJH
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![BU of 2ojh by Molmil](/molmil-images/mine/2ojh) | The structure of putative TolB from Agrobacterium tumefaciens | Descriptor: | ACETIC ACID, Uncharacterized protein Atu1656/AGR_C_3050 | Authors: | Cuff, M.E, Xu, X, Gu, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-01-12 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structure of putative TolB from Agrobacterium tumefaciens TO BE PUBLISHED
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1RQ6
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![BU of 1rq6 by Molmil](/molmil-images/mine/1rq6) | Solution structure of ribosomal protein S17E from Methanobacterium Thermoautotrophicum, Northeast Structural Genomics Consortium Target TT802 / Ontario Center for Structural Proteomics Target Mth0803 | Descriptor: | 30S ribosomal protein S17e | Authors: | Wu, B, Yee, A, Huang, Y.J, Ramelot, T.A, Semesi, A, Jung, J.W, Edward, A, Lee, W, Kennedy, M.A, Montelione, G.T, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-12-04 | Release date: | 2004-12-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of ribosomal protein S17E from Methanobacterium thermoautotrophicum: a structural homolog of the FF domain. Protein Sci., 17, 2008
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4ICC
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![BU of 4icc by Molmil](/molmil-images/mine/4icc) | Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2012-12-10 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design. Acta Crystallogr.,Sect.D, 70, 2014
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8BA5
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![BU of 8ba5 by Molmil](/molmil-images/mine/8ba5) | Crystal structure of the DNMT3A ADD domain | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, MAGNESIUM ION, ... | Authors: | Linhard, V, Kunert, S, Wollenhaupt, J, Broehm, A, Schwalbe, H, Jeltsch, A. | Deposit date: | 2022-10-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site. Protein Sci., 32, 2023
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3J0S
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![BU of 3j0s by Molmil](/molmil-images/mine/3j0s) | Remodeling of actin filaments by ADF cofilin proteins | Descriptor: | Actin, cytoplasmic 1, Cofilin-2 | Authors: | Galkin, V.E, Orlova, A, Kudryashov, D.S, Solodukhin, A, Reisler, E, Schroeder, G.F, Egelman, E.H. | Deposit date: | 2011-11-24 | Release date: | 2011-12-21 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Remodeling of actin filaments by ADF/cofilin proteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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6RJ2
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![BU of 6rj2 by Molmil](/molmil-images/mine/6rj2) | Crystal structure of PHGDH in complex with compound 40 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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5APH
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![BU of 5aph by Molmil](/molmil-images/mine/5aph) | Ligand complex of RORg LBD | Descriptor: | DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
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1H5M
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![BU of 1h5m by Molmil](/molmil-images/mine/1h5m) | X-ray induced reduction of horseradish peroxidase C1A Compound III (0-100% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H83
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![BU of 1h83 by Molmil](/molmil-images/mine/1h83) | STRUCTURE OF POLYAMINE OXIDASE IN COMPLEX WITH 1,8-DIAMINOOCTANE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, OCTANE 1,8-DIAMINE, ... | Authors: | Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A. | Deposit date: | 2001-01-24 | Release date: | 2001-01-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Bases for Inhibitor Binding and Catalysis in Polyamine Oxidase Biochemistry, 40, 2001
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1GTM
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![BU of 1gtm by Molmil](/molmil-images/mine/1gtm) | STRUCTURE OF GLUTAMATE DEHYDROGENASE | Descriptor: | GLUTAMATE DEHYDROGENASE, SULFATE ION | Authors: | Yip, K.S.P, Stillman, T.J, Britton, K.L, Pasquo, A, Rice, D.W. | Deposit date: | 1996-08-22 | Release date: | 1997-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures. Structure, 3, 1995
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1H5F
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![BU of 1h5f by Molmil](/molmil-images/mine/1h5f) | X-ray induced reduction of horseradish peroxidase C1A Compound III (22-33% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-21 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1HCH
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![BU of 1hch by Molmil](/molmil-images/mine/1hch) | Structure of horseradish peroxidase C1A compound I | Descriptor: | ACETATE ION, CALCIUM ION, OXYGEN ATOM, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-04 | Release date: | 2002-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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5FU4
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![BU of 5fu4 by Molmil](/molmil-images/mine/5fu4) | The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition | Descriptor: | CBM74-RFGH5, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J. | Deposit date: | 2016-01-20 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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1Z83
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![BU of 1z83 by Molmil](/molmil-images/mine/1z83) | Crystal structure of human AK1A in complex with AP5A | Descriptor: | Adenylate kinase 1, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, ... | Authors: | Filippakopoulos, P, Bunkoczi, G, Jansson, A, Schreurs, A, Knapp, S, Edwards, A, von Delft, F, Sundstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-29 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human AK1A in complex with AP5A To be Published
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1H84
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![BU of 1h84 by Molmil](/molmil-images/mine/1h84) | COVALENT ADDUCT BETWEEN POLYAMINE OXIDASE AND N1ethylN11((cycloheptyl)methyl)4,8diazaundecane at pH 4.6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A. | Deposit date: | 2001-01-24 | Release date: | 2001-01-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Bases for Inhibitor Binding and Catalysis in Polyamine Oxidase Biochemistry, 40, 2001
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4GYB
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![BU of 4gyb by Molmil](/molmil-images/mine/4gyb) | Two-domain laccase from streptomyces lividans at 2.4 A resolution AC1709 | Descriptor: | CHLORIDE ION, COPPER (II) ION, Copper oxidase, ... | Authors: | Gabdulkhakov, A, Tischenko, S, Yurevich, L, Lisov, A, Leontievsky, A. | Deposit date: | 2012-09-05 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Two-domain laccase from streptomyces lividans at 2.4 A resolution AC1709 To be Published
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6WBV
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![BU of 6wbv by Molmil](/molmil-images/mine/6wbv) | Structure of human ferroportin bound to hepcidin and cobalt in lipid nanodisc | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, COBALT (II) ION, Fab45D8 Heavy Chain, ... | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | Deposit date: | 2020-03-27 | Release date: | 2020-09-09 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature, 586, 2020
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