2VEL
 
 | | Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties. | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, CHLORIDE ION, GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE | | Authors: | Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K. | | Deposit date: | 2007-10-24 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
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2VJU
 | | Crystal structure of the IS608 transposase in complex with the complete Right end 35-mer DNA and manganese | | Descriptor: | MANGANESE (II) ION, RIGHT END 35-MER, TRANSPOSASE ORFA | | Authors: | Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F. | | Deposit date: | 2007-12-13 | | Release date: | 2008-02-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
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2VKV
 | | TetR (BD) variant L17G with reverse phenotype | | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, ... | | Authors: | Resch, M, Striegl, H, Henssler, E.M, Sevvana, M, Egerer-Sieber, C, Schiltz, E, Hillen, W, Muller, Y.A. | | Deposit date: | 2008-01-02 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A Protein Functional Leap: How a Single Mutation Reverses the Function of the Transcription Regulator Tetr.
Nucleic Acids Res., 36, 2008
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2VG9
 | | Crystal structure of Loop Swap mutant of Necallimastix patriciarum Xyn11A | | Descriptor: | ACETATE ION, BIFUNCTIONAL ENDO-1,4-BETA-XYLANASE A, CADMIUM ION | | Authors: | Vardakou, M, Dumon, C, Flint, J.E, Murray, J.W, Christakopoulos, P, Weiner, D.P, Juge, N, Lewis, R.J, Gilbert, H.J. | | Deposit date: | 2007-11-09 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Understanding the Structural Basis for Substrate and Inhibitor Recognition in Eukaryotic Gh11 Xylanases.
J.Mol.Biol., 375, 2008
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2UUP
 | | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | | Descriptor: | N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | | Deposit date: | 2007-03-06 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
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2VJ4
 | | Methylated Shigella flexneri MxiC | | Descriptor: | PROTEIN MXIC | | Authors: | Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M. | | Deposit date: | 2007-12-06 | | Release date: | 2008-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues.
J.Mol.Biol., 377, 2008
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2VEM
 | | Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties | | Descriptor: | (3-bromo-2-oxo-propoxy)phosphonic acid, GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE, TERTIARY-BUTYL ALCOHOL | | Authors: | Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K. | | Deposit date: | 2007-10-25 | | Release date: | 2008-02-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
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2VKT
 | | HUMAN CTP SYNTHETASE 2 - GLUTAMINASE DOMAIN | | Descriptor: | CTP SYNTHASE 2 | | Authors: | Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-12-28 | | Release date: | 2008-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human Ctp Synthetase 2 - Glutaminase Domain
To be Published
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2VJQ
 | | Formyl-CoA transferase mutant variant W48Q | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMYL-COENZYME A TRANSFERASE | | Authors: | Toyota, C.G, Berthold, C.L, Gruez, A, Jonsson, S, Lindqvist, Y, Cambillau, C, Richards, N.G.J. | | Deposit date: | 2007-12-11 | | Release date: | 2008-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Differential Substrate Specificity and Kinetic Behavior of Escherichia Coli Yfdw and Oxalobacter Formigenes Formyl Coenzyme a Transferase.
J.Bacteriol., 190, 2008
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6YAA
 | | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | | Descriptor: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | | Authors: | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | | Deposit date: | 2020-03-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
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6Q6Q
 | | Human aldehyde oxidase SNP G1269R | | Descriptor: | Aldehyde oxidase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mota, C, Coelho, C, Santos-Silva, T, Romao, M.J. | | Deposit date: | 2018-12-11 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.10003781 Å) | | Cite: | Human aldehyde oxidase (hAOX1): structure determination of the Moco-free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms.
Febs Open Bio, 9, 2019
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6Q6P
 | | Antarctic fish cytoglobin 1 from D.mawsoni | | Descriptor: | Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C. | | Deposit date: | 2018-12-11 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
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4UXG
 | | Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, R32 native crystal | | Descriptor: | LARGE TAIL FIBER PROTEIN P34 | | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | | Deposit date: | 2014-08-22 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
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4UXF
 | | Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, P21 native crystal | | Descriptor: | GLYCEROL, LARGE TAIL FIBER PROTEIN P34 | | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | | Deposit date: | 2014-08-22 | | Release date: | 2015-12-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
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4UXE
 | | Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, P21 selenomethionine crystal | | Descriptor: | GLYCEROL, LARGE TAIL FIBER PROTEIN P34 | | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | | Deposit date: | 2014-08-22 | | Release date: | 2015-08-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
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6TPY
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6TJ6
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6TUB
 | | Beta-endorphin amyloid fibril | | Descriptor: | Beta-endorphin | | Authors: | Verasdonck, J, Seuring, C, Gath, J, Ghosh, D, Nespovitaya, N, Waelti, M.A, Maji, S, Cadalbert, R, Boeckmann, A, Guentert, P, Meier, B.H, Riek, R. | | Deposit date: | 2020-01-05 | | Release date: | 2020-10-28 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | The three-dimensional structure of human beta-endorphin amyloid fibrils.
Nat.Struct.Mol.Biol., 27, 2020
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6TME
 | | Monomeric LRX8 in complex with RALF4. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(3-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J. | | Deposit date: | 2019-12-04 | | Release date: | 2020-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8RMT
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclohexyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Galactopyranose-1-carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 20, 2025
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8RMV
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclobutyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of Galactopyranose-1-carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 20, 2025
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8RMU
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery of Galactopyranose-1-carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 20, 2025
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6TJ5
 | | T. gondii myosin A trimeric complex with ELC1 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Calmodulin, ... | | Authors: | Pazicky, S, Loew, C. | | Deposit date: | 2019-11-25 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Structural role of essential light chains in the apicomplexan glideosome.
Commun Biol, 3, 2020
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6TM5
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6T4A
 | | Thrombin in Complex with a D-Phe-Pro-p-aminopyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Ngo, K, Collins, C, Heine, A, Klebe, G. | | Deposit date: | 2019-10-13 | | Release date: | 2020-05-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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