4D5G
 
 | | Structure of recombinant CDH-H28AN484A | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CYCLOHEXANE-1,2-DIONE HYDROLASE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Loschonsky, S, Wacker, T, Waltzer, S, Giovannini, P.P, McLeish, M.J, Andrade, S.L.A, Mueller, M. | | Deposit date: | 2014-11-04 | | Release date: | 2015-01-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Extended Reaction Scope of Thiamine Diphosphate Dependent Cyclohexane-1,2-Dione Hydrolase: From C-C Bond Cleavage to C-C Bond Ligation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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7OO1
 | | Structure, function and characterization of a second pyruvate kinase isozyme in Pseudomonas aeruginosa. | | Descriptor: | Pyruvate kinase | | Authors: | Abdelhamid, Y, Wang, M, Parkhill, S, Brear, P, Welch, M. | | Deposit date: | 2021-05-26 | | Release date: | 2021-11-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structure, Function and Regulation of a Second Pyruvate Kinase Isozyme in Pseudomonas aeruginosa
Front Microbiol, 12, 2021
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4XZU
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5EDV
 | | Structure of the HOIP-RBR/UbcH5B~ubiquitin transfer complex | | Descriptor: | E3 ubiquitin-protein ligase RNF31, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D2, ... | | Authors: | Lechtenberg, B.C, Mace, P.D, Sanishvili, R, Riedl, S.J. | | Deposit date: | 2015-10-22 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.48 Å) | | Cite: | Structure of a HOIP/E2~ubiquitin complex reveals RBR E3 ligase mechanism and regulation.
Nature, 529, 2016
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6N2N
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6ZDF
 | | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycoprotein endo-alpha-1,2-mannosidase | | Authors: | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | Deposit date: | 2020-06-14 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5EGM
 | | Development of a novel tricyclic class of potent and selective FIXa inhibitors | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | | Deposit date: | 2015-10-27 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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1D0H
 | | THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH N-ACETYL-GALACTOSAMINE | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, PROTEIN (TETANUS TOXIN HC), SULFATE ION | | Authors: | Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W. | | Deposit date: | 1999-09-10 | | Release date: | 2000-03-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000
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2GDA
 | | REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR DNA-BINDING DOMAIN | | Descriptor: | GLUCOCORTICOID RECEPTOR, ZINC ION | | Authors: | Baumann, H, Paulsen, K, Kovacs, H, Berglund, H, Wright, A.P.H, Gustafsson, J.-A, Hard, T. | | Deposit date: | 1994-03-15 | | Release date: | 1994-06-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Refined solution structure of the glucocorticoid receptor DNA-binding domain.
Biochemistry, 32, 1993
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3URA
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T | | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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7UJX
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Wych, D.C, Aoto, P.C, Wall, M.E. | | Deposit date: | 2022-03-31 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7RHR
 | | Cryo-EM structure of Xenopus Patched-1 in nanodisc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Huang, P, Lian, T, Jiang, J, Salic, A. | | Deposit date: | 2021-07-18 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for catalyzed assembly of the Sonic hedgehog-Patched1 signaling complex.
Dev.Cell, 57, 2022
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1GER
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8DYZ
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6AQJ
 | | Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase (NADP(+)), ... | | Authors: | Patel, K.M, Teran, D, Zheng, S, Gracia, M, Lv, Y, Schembri, M.A, McGeary, R.P, Schenk, G, Guddat, L.W. | | Deposit date: | 2017-08-20 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.373 Å) | | Cite: | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity.
Chemistry, 23, 2017
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7R4N
 | | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | Deposit date: | 2022-02-08 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
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7V0G
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Wych, D.C, Aoto, P.C, Wall, M.E. | | Deposit date: | 2022-05-10 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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4Y42
 | | Cyanase (CynS) from Serratia proteamaculans | | Descriptor: | Cyanate hydratase, GLYCEROL | | Authors: | Butryn, A, Hopfner, K.-P. | | Deposit date: | 2015-02-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Serendipitous crystallization and structure determination of cyanase (CynS) from Serratia proteamaculans
Acta Crystallogr.,Sect.F, 71, 2015
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7RHQ
 | | Cryo-EM structure of Xenopus Patched-1 in complex with GAS1 and Sonic Hedgehog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Huang, P, Lian, T, Wierbowski, B, Garcia-Linares, S, Jiang, J, Salic, A. | | Deposit date: | 2021-07-18 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Structural basis for catalyzed assembly of the Sonic hedgehog-Patched1 signaling complex.
Dev.Cell, 57, 2022
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7R70
 | | Crystal Structure of the UbArk2C fusion protein | | Descriptor: | GLYCEROL, Ubiquitin,E3 ubiquitin-protein ligase RNF165, ZINC ION | | Authors: | Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L. | | Deposit date: | 2021-06-24 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
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5IP9
 | | Structure of RNA Polymerase II-TFIIF complex | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Plaschka, C, Hantsche, M, Dienemann, C, Burzinski, C, Plitzko, J, Cramer, P. | | Deposit date: | 2016-03-09 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Transcription initiation complex structures elucidate DNA opening.
Nature, 533, 2016
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1GBT
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7R71
 | | Crystal Structure of the UbArk2C-UbcH5b~Ub complex | | Descriptor: | Ubiquitin, Ubiquitin,E3 ubiquitin-protein ligase RNF165, Ubiquitin-conjugating enzyme E2 D2, ... | | Authors: | Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L. | | Deposit date: | 2021-06-24 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
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8DZ7
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5EQG
 | | Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | | Descriptor: | (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | | Deposit date: | 2015-11-12 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
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