4W9D
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![BU of 4w9d by Molmil](/molmil-images/mine/4w9d) | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
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4UXS
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![BU of 4uxs by Molmil](/molmil-images/mine/4uxs) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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4URE
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![BU of 4ure by Molmil](/molmil-images/mine/4ure) | Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, CYCLOHEXANOL DEHYDROGENASE, ... | Authors: | Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. | Deposit date: | 2014-06-28 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1. J.Mol.Microbiol.Biotechnol., 25, 2015
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4O1L
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![BU of 4o1l by Molmil](/molmil-images/mine/4o1l) | Human Adenosine Kinase in complex with inhibitor | Descriptor: | 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase, MAGNESIUM ION | Authors: | Brynda, J, Dostal, J, Pichova, I, Hodcek, M. | Deposit date: | 2013-12-16 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
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4V18
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![BU of 4v18 by Molmil](/molmil-images/mine/4v18) | SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 | Descriptor: | CARBOHYDRATE BINDING MODULE | Authors: | Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2014-09-25 | Release date: | 2016-01-20 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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6XWL
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![BU of 6xwl by Molmil](/molmil-images/mine/6xwl) | Cystathionine beta-synthase from Toxoplasma gondii | Descriptor: | Cystathionine beta-synthase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2020-01-23 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii . Comput Struct Biotechnol J, 19, 2021
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5KLN
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![BU of 5kln by Molmil](/molmil-images/mine/5kln) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169A in complex with NAD+ | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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5KLK
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![BU of 5klk by Molmil](/molmil-images/mine/5klk) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde | Descriptor: | (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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2XDH
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![BU of 2xdh by Molmil](/molmil-images/mine/2xdh) | Non-cellulosomal cohesin from the hyperthermophilic archaeon Archaeoglobus fulgidus | Descriptor: | CHLORIDE ION, COHESIN, MAGNESIUM ION, ... | Authors: | Voronov-Goldman, M, Lamed, R, Noach, I, Borovok, I, Kwiat, M, Rosenheck, S, Shimon, L.J.W, Bayer, E.A, Frolow, F. | Deposit date: | 2010-05-02 | Release date: | 2010-05-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Non-Cellulosomal Cohesin from the Hyperthermophilic Archaeon Archaeoglobus Fulgidus Proteins, 79, 2011
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4W5W
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![BU of 4w5w by Molmil](/molmil-images/mine/4w5w) | Rubisco activase from Arabidopsis thaliana | Descriptor: | Ribulose bisphosphate carboxylase/oxygenase activase, chloroplastic, SULFATE ION | Authors: | Hasse, D, Larsson, A.M, Andersson, I. | Deposit date: | 2014-08-19 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Arabidopsis thaliana Rubisco activase Acta Crystallogr.,Sect.D, 71, 2015
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8GF3
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![BU of 8gf3 by Molmil](/molmil-images/mine/8gf3) | Crystallographic structure from BlMan5_7 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH5 Mannanase, ... | Authors: | Briganti, L, Araujo, E.A, Polikarpov, I. | Deposit date: | 2023-03-07 | Release date: | 2024-04-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unravelling biochemical and structural features of Bacillus licheniformis GH5 mannanase using site-directed mutagenesis and high-resolution protein crystallography studies. Int.J.Biol.Macromol., 274, 2024
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8GZ0
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![BU of 8gz0 by Molmil](/molmil-images/mine/8gz0) | |
8GZ6
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![BU of 8gz6 by Molmil](/molmil-images/mine/8gz6) | Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nanobody P17 | Authors: | Yamaguchi, K, Anzai, I, Maeda, R, Moriguchi, M, Watanabe, T, Imura, A, Takaori-Kondo, A, Inoue, T. | Deposit date: | 2022-09-25 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural insights into the rational design of a nanobody that binds with high affinity to the SARS-CoV-2 spike variant. J.Biochem., 173, 2023
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8GZ5
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![BU of 8gz5 by Molmil](/molmil-images/mine/8gz5) | Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody P17, ... | Authors: | Yamaguchi, K, Anzai, I, Maeda, R, Moriguchi, M, Watanabe, T, Imura, A, Takaori-Kondo, A, Inoue, T. | Deposit date: | 2022-09-25 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the rational design of a nanobody that binds with high affinity to the SARS-CoV-2 spike variant. J.Biochem., 173, 2023
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8HBR
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![BU of 8hbr by Molmil](/molmil-images/mine/8hbr) | The C-terminal domain of Spiral2 | Descriptor: | TOG domain-containing protein | Authors: | Hayashi, I. | Deposit date: | 2022-10-30 | Release date: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the C-terminal domain of the plant-specific microtubule-associated protein Spiral2. Acta Crystallogr.,Sect.F, 79, 2023
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6WCU
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![BU of 6wcu by Molmil](/molmil-images/mine/6wcu) | Crystal structure of coiled coil region of human septin 5 | Descriptor: | Septin-5 | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2020-03-31 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis. J.Mol.Biol., 433, 2021
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6WSM
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![BU of 6wsm by Molmil](/molmil-images/mine/6wsm) | Crystal structure of coiled coil region of human septin 8 | Descriptor: | SULFATE ION, Septin-8 | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2020-05-01 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis. J.Mol.Biol., 433, 2021
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7CAT
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![BU of 7cat by Molmil](/molmil-images/mine/7cat) | The NADPH binding site on beef liver catalase | Descriptor: | CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Murthy, M.R.N, Reid III, T.J, Sicignano, A, Tanaka, N, Fita, I, Rossmann, M.G. | Deposit date: | 1984-11-15 | Release date: | 1985-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The NADPH binding site on beef liver catalase. Proc.Natl.Acad.Sci.USA, 82, 1985
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8BIZ
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![BU of 8biz by Molmil](/molmil-images/mine/8biz) | Cystathionine gamma-lyase from Toxoplasma gondii in complex with cysteine | Descriptor: | CYSTEINE, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8BIW
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![BU of 8biw by Molmil](/molmil-images/mine/8biw) | Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8BIS
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![BU of 8bis by Molmil](/molmil-images/mine/8bis) | Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii in complex with DL-propargylglycine | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.266 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8BIU
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![BU of 8biu by Molmil](/molmil-images/mine/8biu) | Cystathionine gamma-lyase in complex with cystathionine | Descriptor: | 2-KETOBUTYRIC ACID, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8BIV
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![BU of 8biv by Molmil](/molmil-images/mine/8biv) | Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii | Descriptor: | Cystathionine beta-lyase, putative, GLYCEROL, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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8BIX
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![BU of 8bix by Molmil](/molmil-images/mine/8bix) | Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii in complex with cystathionine | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cystathionine beta-lyase, putative, ... | Authors: | Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A. | Deposit date: | 2022-11-02 | Release date: | 2023-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023
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