5UL9
 
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4K1P
 | | Structure of the NheA component of the Nhe toxin from Bacillus cereus | | Descriptor: | 1,2-ETHANEDIOL, NheA, SULFATE ION | | Authors: | Ganash, M, Phung, D, Artymiuk, P.J. | | Deposit date: | 2013-04-05 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the NheA Component of the Nhe Toxin from Bacillus cereus: Implications for Function.
Plos One, 8, 2013
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1D62
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5KO4
 | | Bromodomain from Trypanosoma brucei Tb427.10.8150 | | Descriptor: | Putative uncharacterized protein, SULFATE ION | | Authors: | El Bakkouri, M, Walker, J.R, Hou, C.F.D, Lin, Y.H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-29 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Bromodomain from Trypanosoma brucei Tb427.10.8150
To be published
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8BDO
 | | VCB in complex with compound 21 | | Descriptor: | (2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BDS
 | | Ternary complex between VCB, BRD4-BD1 and PROTAC 48 | | Descriptor: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-20 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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5KNC
 | | Crystal structure of the 3 ADP-bound V1 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T. | | Deposit date: | 2016-06-28 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.015 Å) | | Cite: | Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Nat Commun, 7, 2016
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5FIO
 | | DARPins as a new tool for experimental phasing in protein crystallography | | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, MERCURY (II) ION, NI3C DARPIN MUTANT5 HG-SITE N1 | | Authors: | Batyuk, A, Honegger, A, Andres, F, Briand, C, Gruetter, M, Plueckthun, A. | | Deposit date: | 2015-09-30 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Darpins as a New Tool for Experimental Phasing in Protein Crystallography
To be Published
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8BEB
 | | Ternary complex between VCB, BRD4-BD1 and PROTAC 49 | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-21 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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7MQX
 | | P. putida mandelate racemase forms an oxobenzoxaborole adduct with 2-formylphenylboronic acid | | Descriptor: | (3S)-2,1-benzoxaborole-1,3(3H)-diol, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Grandinetti, L, Bearne, S.L, St.Maurice, M. | | Deposit date: | 2021-05-06 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.914 Å) | | Cite: | Slow-Onset, Potent Inhibition of Mandelate Racemase by 2-Formylphenylboronic Acid. An Unexpected Adduct Clasps the Catalytic Machinery.
Biochemistry, 2021
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5FFI
 | | [2Fe:2S] ferredoxin FeSII from Azotobacter vinelandii | | Descriptor: | Dimeric (2Fe-2S) protein, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Schlesier, J, Rohde, M, Gerhardt, S, Einsle, O. | | Deposit date: | 2015-12-18 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A Conformational Switch Triggers Nitrogenase Protection from Oxygen Damage by Shethna Protein II (FeSII).
J.Am.Chem.Soc., 138, 2016
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8BDT
 | | Ternary complex between VCB, BRD4-BD2 and PROTAC 51 | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.A. | | Deposit date: | 2022-10-20 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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1D9A
 | | SOLUTION STRUCTURE OF THE SECOND RNA-BINDING DOMAIN (RBD2) OF HU ANTIGEN C (HUC) | | Descriptor: | HU ANTIGEN C | | Authors: | Inoue, M, Muto, Y, Sakamoto, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 1999-10-26 | | Release date: | 2000-04-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR studies on functional structures of the AU-rich element-binding domains of Hu antigen C.
Nucleic Acids Res., 28, 2000
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5FJ8
 | | Cryo-EM structure of yeast RNA polymerase III elongation complex at 3. 9 A | | Descriptor: | DNA-DIRECTED RNA POLYMERASE III SUBUNIT RPC1, DNA-DIRECTED RNA POLYMERASE III SUBUNIT RPC10, DNA-DIRECTED RNA POLYMERASE III SUBUNIT RPC2, ... | | Authors: | Hoffmann, N.A, Jakobi, A.J, Moreno-Morcillo, M, Glatt, S, Kosinski, J, Hagen, W.J, Sachse, C, Muller, C.W. | | Deposit date: | 2015-10-06 | | Release date: | 2015-11-25 | | Last modified: | 2017-08-30 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Molecular Structures of Unbound and Transcribing RNA Polymerase III.
Nature, 528, 2015
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5UZQ
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5KR6
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | Descriptor: | 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | Deposit date: | 2016-07-07 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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1CE7
 | | MISTLETOE LECTIN I FROM VISCUM ALBUM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (RIBOSOME-INACTIVATING PROTEIN TYPE II) | | Authors: | Krauspenhaar, R, Eschenburg, S, Perbandt, M, Kornilov, V, Konareva, N, Mikailova, I, Stoeva, S, Wacker, R, Maier, T, Singh, T.P, Mikhailov, A, Voelter, W, Betzel, C. | | Deposit date: | 1999-03-18 | | Release date: | 2000-03-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of mistletoe lectin I from Viscum album.
Biochem.Biophys.Res.Commun., 257, 1999
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8BDL
 | | VCB in complex with compound 27 | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BDX
 | | Ternary complex between VCB, BRD4-BD2 and PROTAC 48 | | Descriptor: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-20 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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5V0F
 | | Crystal structure of C-As lyase with mutation K105A and substrate Roxarsone | | Descriptor: | 4-arsanyl-2-nitrophenol, CHLORIDE ION, FE (III) ION, ... | | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | | Deposit date: | 2017-02-28 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of C-As lyase with mutation K105A and substrate Roxarsone.
To Be Published
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5KK1
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1D8J
 | | SOLUTION STRUCTURE OF THE CENTRAL CORE DOMAIN OF TFIIE BETA | | Descriptor: | GENERAL TRANSCRIPTION FACTOR TFIIE-BETA | | Authors: | Okuda, M, Watanabe, Y, Okamura, H, Hanaoka, F, Ohkuma, Y, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 1999-10-25 | | Release date: | 2000-04-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the central core domain of TFIIEbeta with a novel double-stranded DNA-binding surface.
EMBO J., 19, 2000
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8BDJ
 | | VCB in complex with compound 30 | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BDM
 | | VCB in complex with compound 26 | | Descriptor: | (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.021 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BDI
 | | VCB in complex with compound 32 | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.108 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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