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4QGE
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BU of 4qge by Molmil
phosphodiesterase-9A in complex with inhibitor WYQ-C36D
Descriptor: MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ...
Authors:Shao, Y.-X, Huang, M, Cui, W, Ke, H.
Deposit date:2014-05-22
Release date:2014-12-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent.
J.Med.Chem., 57, 2014
7MTB
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BU of 7mtb by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and Fab6
Descriptor: Fab6 heavy chain, Fab6 light chain, RETINAL, ...
Authors:Chen, Q, Chen, C.-L, Tesmer, J.J.G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MT8
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BU of 7mt8 by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin
Descriptor: RETINAL, Rhodopsin, Rhodopsin kinase GRK1, ...
Authors:Chen, Q, Chen, C.-L, Tesmer, J.J.G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MTA
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BU of 7mta by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and Fab1
Descriptor: Fab1 Heavy chain, Fab1 Light chain, RETINAL, ...
Authors:Chen, Q, Chen, C.-L, Tesmer, J.J.G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MT9
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BU of 7mt9 by Molmil
Rhodopsin kinase (GRK1) in complex with rhodopsin
Descriptor: RETINAL, Rhodopsin, Rhodopsin kinase GRK1, ...
Authors:Chen, Q, Chen, C.-L, Tesmer, J.J.G.
Deposit date:2021-05-13
Release date:2021-07-07
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7WJQ
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BU of 7wjq by Molmil
Crystal structure of GSDMB in complex with Ipah7.8
Descriptor: Isoform 2 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8
Authors:Li, X, Zhang, H, Yin, H.
Deposit date:2022-01-07
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into the GSDMB-mediated cellular lysis and its targeting by IpaH7.8
Nat Commun, 14, 2023
7MPH
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BU of 7mph by Molmil
GRB2 SH2 Domain with Compound 7
Descriptor: (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid, 1,2-ETHANEDIOL, Growth factor receptor-bound protein 2, ...
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-05-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and structural characterization of a monocarboxylic inhibitor for GRB2 SH2 domain.
Bioorg.Med.Chem.Lett., 51, 2021
5WOV
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BU of 5wov by Molmil
Solution NMR structure of cyclotide MCoTI-I
Descriptor: Two inhibitor peptide topologies 2
Authors:Schroeder, C.I, Kwon, S.
Deposit date:2017-08-03
Release date:2018-08-08
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Targeted Delivery of Cyclotides via Conjugation to a Nanobody.
ACS Chem. Biol., 13, 2018
5WOW
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BU of 5wow by Molmil
Solution NMR structure of cyclotide MCoTI-I
Descriptor: Two inhibitor peptide topologies 2
Authors:Schroeder, C.I, Kwon, S.
Deposit date:2017-08-03
Release date:2018-08-08
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Targeted Delivery of Cyclotides via Conjugation to a Nanobody.
ACS Chem. Biol., 13, 2018
5X3P
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BU of 5x3p by Molmil
Crystal structure of the UBX domain of human UBXD7
Descriptor: UBX domain-containing protein 7
Authors:Jiang, T, Li, Z, Wang, Y, Xu, M.
Deposit date:2017-02-06
Release date:2017-03-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Crystal structures of the UBX domain of human UBXD7 and its complex with p97 ATPase
Biochem. Biophys. Res. Commun., 486, 2017
5X4L
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BU of 5x4l by Molmil
Crystal structure of the UBX domain of human UBXD7 in complex with p97 N domain
Descriptor: Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 7
Authors:Jiang, T, Li, Z, Wang, Y, Xu, M.
Deposit date:2017-02-13
Release date:2017-03-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Crystal structures of the UBX domain of human UBXD7 and its complex with p97 ATPase
Biochem. Biophys. Res. Commun., 486, 2017
5VT0
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BU of 5vt0 by Molmil
Escherichia coli 6S RNA derivative in complex with Escherichia coli RNA polymerase sigma70-holoenzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Chen, J, Darst, S.A.
Deposit date:2017-05-15
Release date:2017-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:6S RNA Mimics B-Form DNA to Regulate Escherichia coli RNA Polymerase.
Mol. Cell, 68, 2017
4Q1E
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BU of 4q1e by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
Descriptor: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ...
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1A
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BU of 4q1a by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol}
Descriptor: 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
5XIW
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BU of 5xiw by Molmil
Crystal structure of T2R-TTL-Colchicine complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-04-27
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
7FCA
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BU of 7fca by Molmil
PfkB(Mycobacterium marinum)
Descriptor: Fructokinase, PfkB, GLYCEROL, ...
Authors:Li, J, Gao, B, Ji, R.
Deposit date:2021-07-14
Release date:2021-08-04
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural analysis and functional study of phosphofructokinase B (PfkB) from Mycobacterium marinum.
Biochem.Biophys.Res.Commun., 579, 2021
3OW8
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BU of 3ow8 by Molmil
Crystal Structure of the WD repeat-containing protein 61
Descriptor: UNKNOWN ATOM OR ION, WD repeat-containing protein 61
Authors:Tempel, W, Li, Z, Chao, X, Lam, R, Wernimont, A.K, He, H, Seitova, A, Pan, P.W, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-09-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
7VBT
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BU of 7vbt by Molmil
Crystal structure of RIOK2 in complex with CQ211
Descriptor: 8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one, Serine/threonine-protein kinase RIO2
Authors:Zhu, C, Zhang, Z.M.
Deposit date:2021-09-01
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54001474 Å)
Cite:Discovery of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro- 4H -[1,2,3]triazolo[4,5- c ]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor.
J.Med.Chem., 65, 2022
9G7E
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BU of 9g7e by Molmil
Crystal structure of ASGPR with bound guanosine
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, GLYCEROL, ...
Authors:Schreuder, H.A, Hofmeister, A.
Deposit date:2024-07-20
Release date:2025-03-19
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Trivalent siRNA-Conjugates with Guanosine as ASGPR-Binder Show Potent Knock-Down In Vivo.
J.Med.Chem., 68, 2025
9G76
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BU of 9g76 by Molmil
Crystal structure of ASGPR with bound GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, Asialoglycoprotein receptor 1, ...
Authors:Schreuder, H.A, Hofmeister, A.
Deposit date:2024-07-19
Release date:2025-03-19
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Trivalent siRNA-Conjugates with Guanosine as ASGPR-Binder Show Potent Knock-Down In Vivo.
J.Med.Chem., 68, 2025
9G7D
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BU of 9g7d by Molmil
Crystal structure of ASGPR with bound IMP
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, INOSINIC ACID
Authors:Schreuder, H.A, Hofmeister, A.
Deposit date:2024-07-20
Release date:2025-03-19
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Trivalent siRNA-Conjugates with Guanosine as ASGPR-Binder Show Potent Knock-Down In Vivo.
J.Med.Chem., 68, 2025
9IZN
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BU of 9izn by Molmil
Crystal structure of HKU1A RBD bound to TMPRSS2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, Transmembrane protease serine 2
Authors:Wang, W, Xu, Y, Zhang, S.
Deposit date:2024-08-01
Release date:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-resolution crystal structure of human coronavirus HKU1 receptor binding domain bound to TMPRSS2 receptor
Hlife, 2024
9IW3
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BU of 9iw3 by Molmil
Cryo-EM structure of Lactobacillus casei DdmE bound with guide and target
Descriptor: DNA (25-MER), DNA (5'-D(P*CP*TP*TP*GP*AP*TP*AP*CP*GP*AP*C)-3'), DNA (5'-D(P*TP*GP*AP*CP*GP*GP*CP*TP*CP*TP*AP*AP*TP*CP*T)-3'), ...
Authors:Huang, P.P, Chen, M.R, Xiao, Y.B.
Deposit date:2024-07-25
Release date:2025-01-01
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:The mechanism of bacterial defense system DdmDE from Lactobacillus casei.
Cell Res., 34, 2024
9IX4
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BU of 9ix4 by Molmil
Cryo-EM structure of Lactobacillus casei DdmD dimer bound with DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*TP*GP*AP*GP*TP*AP*TP*AP*TP*CP*C)-3'), ...
Authors:Huang, P.P, Chen, M.R, Xiao, Y.B.
Deposit date:2024-07-26
Release date:2025-01-01
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:The mechanism of bacterial defense system DdmDE from Lactobacillus casei.
Cell Res., 34, 2024
9IXM
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BU of 9ixm by Molmil
Cryo-EM structure of Lactobacillus casei DdmDE bound with DNA
Descriptor: DNA (30-MER), DNA (5'-D(P*TP*GP*AP*CP*GP*GP*CP*TP*CP*TP*AP*AP*TP*CP*T)-3'), DdmD, ...
Authors:Huang, P.P, Chen, M.R, Xiao, Y.B.
Deposit date:2024-07-29
Release date:2025-01-01
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:The mechanism of bacterial defense system DdmDE from Lactobacillus casei.
Cell Res., 34, 2024

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