6BM8
 
 | | Crystal structure of glycoprotein B from Herpes Simplex Virus type I | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, ... | | Authors: | Cooper, R.S, Heldwein, E.E. | | Deposit date: | 2017-11-13 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structural basis for membrane anchoring and fusion regulation of the herpes simplex virus fusogen gB.
Nat. Struct. Mol. Biol., 25, 2018
|
|
5JN8
 | | Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
|
|
1CP5
 | | RECOMBINANT SPERM WHALE MYOGLOBIN L104F MUTANT (MET) | | Descriptor: | PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Liong, E.C, Phillips Jr, G.N. | | Deposit date: | 1999-06-07 | | Release date: | 1999-06-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001
|
|
7JHG
 | | Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-21 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
|
|
2KTZ
 | | Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA | | Descriptor: | (7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA | | Authors: | Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R. | | Deposit date: | 2010-02-10 | | Release date: | 2010-04-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Inhibitor-induced structural change in the HCV IRES domain IIa RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
7JHH
 | | Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Fab and nanobody | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-21 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
|
|
6IWB
 | | Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 | | Descriptor: | Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION | | Authors: | Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P. | | Deposit date: | 2018-12-05 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy.
Nat.Biotechnol., 38, 2020
|
|
8B3W
 | | Structure of metacyclic VSG (mVSG) 1954 from Trypanosoma brucei | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Variant surface glycoprotein 1954 | | Authors: | Chandra, M, Stebbins, C.E. | | Deposit date: | 2022-09-17 | | Release date: | 2023-01-25 | | Last modified: | 2023-04-19 | | Method: | X-RAY DIFFRACTION (1.681 Å) | | Cite: | Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
|
|
1Y33
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58P mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-23 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
|
|
7HBI
 | | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM | | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Royer Junior, W.E. | | Deposit date: | 1998-06-25 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
|
|
5UOY
 | | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | | Descriptor: | 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | | Authors: | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | | Deposit date: | 2017-02-01 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
|
|
8BBU
 | | Crystal structure of medical leech destabilase (high salt) | | Descriptor: | GLYCEROL, Lysozyme, MALONATE ION, ... | | Authors: | Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V. | | Deposit date: | 2022-10-14 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural insights into thrombolytic activity of destabilase from medicinal leech.
Sci Rep, 13, 2023
|
|
8BBW
 | | Crystal structure of medical leech destabilase (low salt) | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme | | Authors: | Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V. | | Deposit date: | 2022-10-14 | | Release date: | 2023-02-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural insights into thrombolytic activity of destabilase from medicinal leech.
Sci Rep, 13, 2023
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
6BT9
 | | Chitinase ChiA74 from Bacillus thuringiensis | | Descriptor: | CALCIUM ION, Chitinase | | Authors: | Juarez-Hernandez, E, Brieba, L.G, Torres-Larios, A, Jimenez-Sandoval, P, Barboza-Corona, J. | | Deposit date: | 2017-12-05 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | The crystal structure of the chitinase ChiA74 of Bacillus thuringiensis has a multidomain assembly.
Sci Rep, 9, 2019
|
|
3KFL
 | | Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | Deposit date: | 2009-10-27 | | Release date: | 2010-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate.
Biochimie, 93, 2011
|
|
1YYK
 | | Crystal structure of RNase III from Aquifex Aeolicus complexed with double-stranded RNA at 2.5-angstrom resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-R(*CP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*G)-3', Ribonuclease III | | Authors: | Gan, J, Tropea, J.E, Austin, B.P, Court, D.L, Waugh, D.S, Ji, X. | | Deposit date: | 2005-02-25 | | Release date: | 2005-11-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Intermediate states of ribonuclease III in complex with double-stranded RNA
Structure, 13, 2005
|
|
3V51
 | |
1BC9
 | | CYTOHESIN-1/B2-1 SEC7 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | CYTOHESIN-1 | | Authors: | Betz, S.F, Schnuchel, A, Wang, H, Olejniczak, E.T, Meadows, R.P, Fesik, S.W. | | Deposit date: | 1998-05-06 | | Release date: | 1999-05-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the cytohesin-1 (B2-1) Sec7 domain and its interaction with the GTPase ADP ribosylation factor 1.
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
5G2B
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 | | Descriptor: | CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | | Deposit date: | 2016-04-07 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
|
|
5KJ0
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2 | | Descriptor: | 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | | Authors: | Zhu, J.-Y, Ember, S.W, Schonbrunn, E. | | Deposit date: | 2016-06-17 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET.
ChemMedChem, 11, 2016
|
|
