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6H7Y
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BU of 6h7y by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1
Descriptor: (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Motlova, L, Novakova, Z, Barinka, C.
Deposit date:2018-07-31
Release date:2018-12-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6H6G
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BU of 6h6g by Molmil
Crystal Structure of TcdB2-TccC3 without hypervariable C-terminal region
Descriptor: TcdB2,TccC3
Authors:Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S.
Deposit date:2018-07-27
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Tc toxin activation requires unfolding and refolding of a beta-propeller.
Nature, 563, 2018
6H7Z
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BU of 6h7z by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1
Descriptor: (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Motlova, L, Novakova, Z, Barinka, C.
Deposit date:2018-07-31
Release date:2018-12-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6YWA
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BU of 6ywa by Molmil
Human REF STING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
Descriptor: 3',3'-c-[2'FdAMP-2'FdAM(PS)], GLYCEROL, Stimulator of interferon genes protein
Authors:Boura, E, Smola, M.
Deposit date:2020-04-29
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Human REF STING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
To Be Published
6YWB
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BU of 6ywb by Molmil
Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
Descriptor: 3',3'-c-[2'FdAMP-2'FdAM(PS)], Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-04-29
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
To Be Published
8CEO
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BU of 8ceo by Molmil
Yeast RNA polymerase II transcription pre-initiation complex with core Mediator and the +1 nucleosome
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Wang, H, Cramer, P.
Deposit date:2023-02-02
Release date:2023-03-08
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Yeast PIC-Mediator structure with RNA polymerase II C-terminal domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
6ZPP
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BU of 6zpp by Molmil
g7941: a virulence factor from Drechmaria coniospora
Descriptor: CHLORIDE ION, virulence factor
Authors:Leone, P, Roussel, A, Zimberger, C.
Deposit date:2020-07-09
Release date:2022-01-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a virulence factor from Drechmaria coniospora, a C. elegans pathogen
To Be Published
8CEN
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BU of 8cen by Molmil
Yeast RNA polymerase II transcription pre-initiation complex with core Mediator
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Wang, H, Schilbach, S, Cramer, P.
Deposit date:2023-02-02
Release date:2023-03-22
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Yeast PIC-Mediator structure with RNA polymerase II C-terminal domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
8D1P
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BU of 8d1p by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine
Descriptor: 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION
Authors:Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
7RKI
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BU of 7rki by Molmil
Griffithsin-S10Y/S42Y/S88Y
Descriptor: Griffithsin, alpha-D-mannopyranose
Authors:Sun, J.D, Zhao, G.X.
Deposit date:2021-07-22
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
6P2E
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BU of 6p2e by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
Descriptor: BENZOIC ACID, GLYCEROL, OBP22, ...
Authors:Jones, D.N, Murphy, E.
Deposit date:2019-05-21
Release date:2019-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
7NNA
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BU of 7nna by Molmil
Toxin Import Through the Antibiotic Efflux Channel TolC
Descriptor: Klebicin C activity
Authors:Lowe, E.D, Kleanthous, C, Housden, N.G.
Deposit date:2021-02-24
Release date:2021-07-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Toxin import through the antibiotic efflux channel TolC.
Nat Commun, 12, 2021
7Q24
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BU of 7q24 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q26
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BU of 7q26 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q25
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BU of 7q25 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
6XCX
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BU of 6xcx by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
Descriptor: 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-09
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2520268 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
7OJR
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BU of 7ojr by Molmil
Bacillus subtilis phosphoglucomutase GlmM (phosphate bound)
Descriptor: PHOSPHATE ION, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-17
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
6Y3J
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BU of 6y3j by Molmil
RING-DTC domains of Deltex 2, bound to ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
Authors:Gabrielssen, M, Buetow, L, Huang, D.T.
Deposit date:2020-02-18
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
6O5E
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BU of 6o5e by Molmil
Crystal structure of the Vitronectin hemopexin-like domain
Descriptor: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ...
Authors:Lechtenberg, B.C, Shin, K, Marassi, F.M.
Deposit date:2019-03-01
Release date:2019-09-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail.
Sci Adv, 5, 2019
6OTL
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BU of 6otl by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
Descriptor: AAEL005772-PA, BENZOIC ACID, HEXATANTALUM DODECABROMIDE, ...
Authors:Jones, D.N, Murphy, E.
Deposit date:2019-05-03
Release date:2019-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6Y22
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BU of 6y22 by Molmil
RING-DTC domains of Deltex 2, Form 1
Descriptor: Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
Authors:Gabrielssen, M, Buetow, L, Huang, D.T.
Deposit date:2020-02-14
Release date:2020-09-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
6NBN
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BU of 6nbn by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidonic acid
Descriptor: AAEL005772-PA, ARACHIDONIC ACID
Authors:Jones, D.N, Wang, J.
Deposit date:2018-12-07
Release date:2018-12-19
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
7O38
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BU of 7o38 by Molmil
cytochrome C kustc0562 from Kuenenia stuttgartiensis
Descriptor: CHLORIDE ION, Cytochrome c-552 Ks_3357, HEME C, ...
Authors:Bock, J, Akram, M, Barends, T.
Deposit date:2021-04-01
Release date:2021-10-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Specificity of Small c -Type Cytochromes in Anaerobic Ammonium Oxidation.
Acs Omega, 6, 2021
5L3M
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BU of 5l3m by Molmil
D11 bound [S39_PQ]-IGF-II
Descriptor: Insulin-like growth factor II
Authors:Hexnerova, R.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
8BR4
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BU of 8br4 by Molmil
Structure of GAPDH from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kumar, A, Karthikeyan, S.
Deposit date:2022-11-22
Release date:2023-11-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Stoichiometry of ligand binding and role of C-terminal lysines in Mycobacterium tuberculosis and human GAPDH multifunctionality.
Febs J., 2024

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