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7AZ1
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BU of 7az1 by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013
Descriptor: 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ...
Authors:Wolter, M, Dijck, L.v, Ottmann, C.
Deposit date:2020-11-14
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7AYR
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BU of 7ayr by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115
Descriptor: Dipeptidyl peptidase 8, PHOSPHATE ION, trimethylamine oxide, ...
Authors:Ross, B.H, Huber, R.
Deposit date:2020-11-13
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7AYQ
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BU of 7ayq by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B114
Descriptor: Dipeptidyl peptidase 8, GLYCEROL, PHOSPHATE ION, ...
Authors:Ross, B, Huber, R.
Deposit date:2020-11-13
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
7AX0
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BU of 7ax0 by Molmil
Crystal structure of the computationally designed Scone-E protein co-crystallized with STA form a
Descriptor: Keggin (STA), PHOSPHATE ION, SconeE
Authors:Mylemans, B, Vandebroek, L, Parac-Vogt, T.N, Voet, A.R.D.
Deposit date:2020-11-09
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Scone: pseudosymmetric folding of a symmetric designer protein.
Acta Crystallogr D Struct Biol, 77, 2021
5IG1
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BU of 5ig1 by Molmil
Crystal structure of S. rosetta CaMKII kinase domain
Descriptor: CAMK/CAMK2 protein kinase, PHOSPHATE ION
Authors:Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
Deposit date:2016-02-26
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
5IGI
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BU of 5igi by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and azithromycin
Descriptor: AZITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGT
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BU of 5igt by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and erythromycin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ERYTHROMYCIN A, GUANOSINE, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
6BGU
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BU of 6bgu by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9)
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH2
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BU of 6bh2 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N54)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
7BDW
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BU of 7bdw by Molmil
Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918
Descriptor: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
Authors:Carivenc, C, Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2020-12-22
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
6BQN
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BU of 6bqn by Molmil
Cryo-EM structure of ENaC
Descriptor: 10D4 fab, 7B1 fab, EGFP-SCNN1G chimera, ...
Authors:Noreng, S, Bharadwaj, A, Posert, R, Yoshioka, C, Baconguis, I.
Deposit date:2017-11-28
Release date:2018-10-10
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the human epithelial sodium channel by cryo-electron microscopy.
Elife, 7, 2018
5IL7
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BU of 5il7 by Molmil
Leucine rich repeat domain of the Chlorobium tepidum Roco protein
Descriptor: Rab family protein
Authors:Gotthardt, K, Wittinghofer, A.
Deposit date:2016-03-04
Release date:2016-03-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural model of the dimeric Parkinson's protein LRRK2 reveals a compact architecture involving distant interdomain contacts.
Proc.Natl.Acad.Sci.USA, 113, 2016
7BHE
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BU of 7bhe by Molmil
DARPin_D5/Her3 domain 4 complex, monoclinic crystals
Descriptor: ACETATE ION, DARPin_D5, GLYCEROL, ...
Authors:Mittl, P.R.E, Radom, F, Pluckthun, A.
Deposit date:2021-01-11
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5.
Acta Crystallogr.,Sect.F, 77, 2021
7TVD
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BU of 7tvd by Molmil
Crystal structure of the kinase domain of EGFR exon-19 (del-747-749) mutant
Descriptor: Epidermal growth factor receptor
Authors:Ashtekar, K.D, Stayrook, S.E, Lemmon, M.A.
Deposit date:2022-02-04
Release date:2022-02-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Biochemical and structural basis for differential inhibitor sensitivity of EGFR with distinct exon 19 mutations.
Nat Commun, 13, 2022
7BHF
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BU of 7bhf by Molmil
DARPin_D5/Her3 domain 4 complex, orthorhombic crystals
Descriptor: ACETATE ION, DARPin_D5, Isoform 4 of Receptor tyrosine-protein kinase erbB-3
Authors:Mittl, P.R.E, Radom, F, Pluckthun, A.
Deposit date:2021-01-11
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5.
Acta Crystallogr.,Sect.F, 77, 2021
2JLT
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BU of 2jlt by Molmil
Crystal structure of an RNA kissing complex
Descriptor: R06, TAR
Authors:DiPrimo, C, Fribourg, S.
Deposit date:2008-09-15
Release date:2009-08-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Exploring Tar-RNA Aptamer Loop-Loop Interaction by X-Ray Crystallography, Uv Spectroscopy and Surface Plasmon Resonance.
Nucleic Acids Res., 36, 2008
6BT0
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BU of 6bt0 by Molmil
CRYSTAL STRUCTURE OF RHEB IN COMPLEX WITH COMPOUND NR1
Descriptor: 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid, GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mahoney, S.J.
Deposit date:2017-12-04
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A small molecule inhibitor of Rheb selectively targets mTORC1 signaling.
Nat Commun, 9, 2018
5I9I
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BU of 5i9i by Molmil
Crystal structure of LP_PLA2 in complex with Darapladib
Descriptor: N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2016-02-20
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors
J.Med.Chem., 59, 2016
6CCR
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BU of 6ccr by Molmil
Selenomethionyl derivative of a GID4 fragment
Descriptor: Glucose-induced degradation protein 4 homolog, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-07
Release date:2018-04-04
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
5IG3
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BU of 5ig3 by Molmil
Crystal structure of the human CaMKII-alpha hub
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha
Authors:McSpadden, E, Cao, Y.M, Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
Deposit date:2016-02-26
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
5IGK
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BU of 5igk by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5IGP
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BU of 5igp by Molmil
Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin
Descriptor: ERYTHROMYCIN A, GUANOSINE-5'-DIPHOSPHATE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IFI
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BU of 5ifi by Molmil
CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE FROM CRYPTOCOCCUS NEOFORMANS H99
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), SSGCID, Fox III, D, Edwards, T.E, Lorimer, D.D, Mutz, M.W.
Deposit date:2016-02-26
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Acetyl-CoA Synthetase in complex with Adenosine-5'-propylphosphate from Cryptococcus neoformans H99
To Be Published
5INW
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BU of 5inw by Molmil
Structure of reaction loop cleaved lamprey angiotensinogen
Descriptor: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION
Authors:Wei, H, Zhou, A.
Deposit date:2016-03-08
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism
J.Biol.Chem., 291, 2016
5IJ5
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BU of 5ij5 by Molmil
Crystal structure of Equine Serum Albumin in the presence of 50 mM zinc at pH 4.5
Descriptor: GLYCEROL, Serum albumin, ZINC ION
Authors:Handing, K.B, Majorek, K.A, Shabalin, I.G, Cymborowski, M.T, Zheng, H, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2016-03-01
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins.
Chem Sci, 7, 2016

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