8RQG
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4PYT
| Crystal structure of a MurB family EP-UDP-N-acetylglucosamine reductase | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Cao, H, Franz, L, Sen, S, Bingman, C.A, Auldridge, M, Steinmetz, E, Mead, D, Phillips Jr, G.N. | Deposit date: | 2014-03-27 | Release date: | 2014-05-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | LucY: A Versatile New Fluorescent Reporter Protein. Plos One, 10, 2015
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5KUO
| Human cyclophilin A at 100K, Data set 3 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KUV
| Human cyclophilin A at 100K, Data set 8 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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6EVD
| Structure of R173A A. niger Fdc1 with prFMN in the hydroxylated form | Descriptor: | Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ... | Authors: | Bailey, S.S, David, L, Payne, K.A.P. | Deposit date: | 2017-11-01 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018
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5KV3
| Human cyclophilin A at 278K, Data set 5 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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8RQJ
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5KXL
| Hen Egg White Lysozyme at 100K, Data set 2 | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-20 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.198 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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1DUC
| EIAV DUTPASE DUDP/STRONTIUM COMPLEX | Descriptor: | DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, DEOXYURIDINE-5'-DIPHOSPHATE, STRONTIUM ION | Authors: | Dauter, Z, Persson, R, Rosengren, A.M, Nyman, P.O, Wilson, K.S, Cedergren-Zeppezauer, E.S. | Deposit date: | 1997-11-29 | Release date: | 1998-06-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of dUTPase from equine infectious anaemia virus; active site metal binding in a substrate analogue complex. J.Mol.Biol., 285, 1999
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6H43
| Flavin-dependent Tryptophan 6-halogenase Thal | Descriptor: | GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Moritzer, A, Minges, H, Frese, M, Sewald, N, Niemann, H.H. | Deposit date: | 2018-07-20 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based switch of regioselectivity in the flavin-dependent tryptophan 6-halogenase Thal. J. Biol. Chem., 294, 2019
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6H4F
| TarP-3RboP | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Guo, Y, Stehle, T. | Deposit date: | 2018-07-21 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. Nature, 563, 2018
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5L25
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6F3J
| The crystal structure of Glycogen Phosphorylase in complex with 10a | Descriptor: | 4-[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]phenyl]benzoic acid, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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6H7F
| Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii in complex with Fe3+-Preacinetobactin-acinetobactin | Descriptor: | (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, ... | Authors: | Moynie, L, Naismith, J.H. | Deposit date: | 2018-07-31 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii. Elife, 7, 2018
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6F3U
| The crystal structure of Glycogen Phosphorylase in complex with 10h | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Gkerdi, A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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8S8C
| Structure of Kras in complex with inhibitor MK-1084 | Descriptor: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Day, P.J, Cleasby, A. | Deposit date: | 2024-03-06 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 67, 2024
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6F4V
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7SSK
| Human P300 complexed with a glycine-based inhibitor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ... | Authors: | Shewchuk, L.M, Reid, R.A. | Deposit date: | 2021-11-11 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening. J.Med.Chem., 65, 2022
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6H27
| Structure of S70C BlaC from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, BlaC | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | Deposit date: | 2018-07-13 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Biochemistry, 58, 2019
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1DQV
| CRYSTAL STRUCTURE OF SYNAPTOTAGMIN III C2A/C2B | Descriptor: | MAGNESIUM ION, SULFATE ION, SYNAPTOTAGMIN III | Authors: | Sutton, R.B, Ernst, J.A, Brunger, A.T. | Deposit date: | 2000-01-05 | Release date: | 2000-01-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the cytosolic C2A-C2B domains of synaptotagmin III. Implications for Ca(+2)-independent snare complex interaction. J.Cell Biol., 147, 1999
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5L54
| Yeast 20S proteasome in complex with epoxyketone inhibitor 16 | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-27 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
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6F7K
| Crystal structure of Dettilon tailspike protein (gp208) | Descriptor: | 1,2-ETHANEDIOL, Tailspike, alpha-D-galactopyranose-(1-6)-beta-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose, ... | Authors: | Roske, Y, Heinemann, U. | Deposit date: | 2017-12-11 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Time-resolved DNA release from an O-antigen-specificSalmonellabacteriophage with a contractile tail. J.Biol.Chem., 294, 2019
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5L5T
| Yeast 20S proteasome with human beta5i (1-138; V31M) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 16 | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-28 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
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5L8H
| Structure of USP46-UbVME | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, ZINC ION | Authors: | Clerici, M, Sixma, T, Dharadhar, S. | Deposit date: | 2016-06-07 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A conserved two-step binding for the UAF1 regulator to the USP12 deubiquitinating enzyme. J.Struct.Biol., 196, 2016
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8S1J
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