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3KSQ
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BU of 3ksq by Molmil
Discovery of C-Imidazole Azaheptapyridine FPT Inhibitors
Descriptor: FARNESYL DIPHOSPHATE, Farnesyltransferase, CAAX box, ...
Authors:Zhu, H.Y, Cooper, A.B, Njoroge, G, Kirschmeier, P, Strickland, C, Hruza, A, Girijavallabhan, V.M.
Deposit date:2009-11-23
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of C-imidazole azaheptapyridine FPT inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7LCB
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BU of 7lcb by Molmil
C1B domain of Protein kinase C in complex with prostratin and phosphatidylcholine
Descriptor: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ...
Authors:Katti, S.S, Krieger, I.V.
Deposit date:2021-01-10
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
7LEO
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BU of 7leo by Molmil
C1B domain of Protein kinase C in complex with diacylglycerol-lactone (AJH-836) and 1,2-diheptanoyl-sn-glycero-3-phosphocholine
Descriptor: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ...
Authors:Katti, S.S, Krieger, I.
Deposit date:2021-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
7LF3
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BU of 7lf3 by Molmil
C1B domain of Protein kinase C in complex with diacylglycerol-lactone AJH-836
Descriptor: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ...
Authors:Katti, S.S, Krieger, I.V.
Deposit date:2021-01-15
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
4ZO5
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BU of 4zo5 by Molmil
PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione
Descriptor: 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ...
Authors:Yan, Y.
Deposit date:2015-05-06
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8JAL
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BU of 8jal by Molmil
Structure of CRL2APPBP2 bound with RxxGP degron (dimer)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-06
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
6PCM
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BU of 6pcm by Molmil
Crystal Structure of Mycobacterium smegmatis Topoisomerase I with ssDNA bound to both N- and C-terminal domains
Descriptor: DNA (5'-D(P*AP*GP*TP*GP*AP*GP*CP*GP*AP*GP*CP*TP*TP*CP*CP*GP*CP*TP*TP*GP*AP*CP*TP*T)-3'), DNA topoisomerase 1, SULFATE ION
Authors:Tan, K, Cao, N, Tse-Dinh, Y.C.
Deposit date:2019-06-17
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.107 Å)
Cite:Mechanistic insights from structure of Mycobacterium smegmatis topoisomerase I with ssDNA bound to both N- and C-terminal domains.
Nucleic Acids Res., 48, 2020
2B1E
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BU of 2b1e by Molmil
The structures of exocyst subunit Exo70p and the Exo84p C-terminal domains reveal a common motif
Descriptor: Exocyst complex component EXO70
Authors:Dong, G, Hutagalung, A.H, Fu, C, Novick, P, Reinisch, K.M.
Deposit date:2005-09-15
Release date:2005-11-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structures of exocyst subunit Exo70p and the Exo84p C-terminal domains reveal a common motif
Nat.Struct.Mol.Biol., 12, 2005
5UP0
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BU of 5up0 by Molmil
Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one)
Descriptor: 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[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 (2.04 Å)
Cite:Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
1ALC
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BU of 1alc by Molmil
REFINED STRUCTURE OF BABOON ALPHA-LACTALBUMIN AT 1.7 ANGSTROMS RESOLUTION. COMPARISON WITH C-TYPE LYSOZYME
Descriptor: ALPHA-LACTALBUMIN, CALCIUM ION
Authors:Acharya, K.R, Stuart, D.I, Phillips, D.C.
Deposit date:1989-08-14
Release date:1989-10-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Refined structure of baboon alpha-lactalbumin at 1.7 A resolution. Comparison with C-type lysozyme.
J.Mol.Biol., 208, 1989
8JP3
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BU of 8jp3 by Molmil
FCP trimer in diatom Thalassiosira pseudonana
Descriptor: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, ...
Authors:Feng, Y, Li, Z, Zhou, C.C, Liu, C, Shen, J.R, Wang, W.
Deposit date:2023-06-10
Release date:2024-06-12
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 5, 2024
6S9I
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BU of 6s9i by Molmil
Human Brr2 Helicase Region D534C/N1866C in complex with C-tail deleted Jab1
Descriptor: Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Vester, K, Santos, K.F, Wahl, M.C.
Deposit date:2019-07-13
Release date:2020-01-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:The inactive C-terminal cassette of the dual-cassette RNA helicase BRR2 both stimulates and inhibits the activity of the N-terminal helicase unit.
J.Biol.Chem., 295, 2020
5LCW
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BU of 5lcw by Molmil
Cryo-EM structure of the Anaphase-promoting complex/Cyclosome, in complex with the Mitotic checkpoint complex (APC/C-MCC) at 4.2 angstrom resolution
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Alfieri, C, Chang, L, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
Deposit date:2016-06-22
Release date:2016-08-10
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Molecular basis of APC/C regulation by the spindle assembly checkpoint.
Nature, 536, 2016
5LM5
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BU of 5lm5 by Molmil
Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator bound to Dcp2 HLM2 peptide (region 435-451)
Descriptor: DNA topoisomerase 2-associated protein PAT1, mRNA decapping protein 2
Authors:Charenton, C, Gaudon-Plesse, C, Fourati, Z, Taverniti, V, Back, R, Kolesnikova, O, Seraphin, B, Graille, M.
Deposit date:2016-07-29
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A unique surface on Pat1 C-terminal domain directly interacts with Dcp2 decapping enzyme and Xrn1 5'-3' mRNA exonuclease in yeast.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5LMG
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BU of 5lmg by Molmil
Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator bound to Dcp2 HLM10 peptide (region 954-970)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA topoisomerase 2-associated protein PAT1, ...
Authors:Charenton, C, Gaudon-Plesse, C, Fourati, Z, Taverniti, V, Back, R, Kolesnikova, O, Seraphin, B, Graille, M.
Deposit date:2016-07-30
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A unique surface on Pat1 C-terminal domain directly interacts with Dcp2 decapping enzyme and Xrn1 5'-3' mRNA exonuclease in yeast.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5LSK
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BU of 5lsk by Molmil
CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C COMPLEX
Descriptor: Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ...
Authors:Vetter, I.R, Petrovic, A, Keller, J, Liu, Y.
Deposit date:2016-09-02
Release date:2016-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.502 Å)
Cite:Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
5LMF
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BU of 5lmf by Molmil
Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator bound to Dcp2 HLM3 peptide (region 484-500)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA topoisomerase 2-associated protein PAT1, ...
Authors:Charenton, C, Gaudon-Plesse, C, Fourati, Z, Taverniti, V, Back, R, Kolesnikova, O, Seraphin, B, Graille, M.
Deposit date:2016-07-30
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A unique surface on Pat1 C-terminal domain directly interacts with Dcp2 decapping enzyme and Xrn1 5'-3' mRNA exonuclease in yeast.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6AO4
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BU of 6ao4 by Molmil
Crystal structure of the human gasdermin D C-terminal domain
Descriptor: Gasdermin-D
Authors:Liu, Z, Wang, C, Yang, J, Xiao, T.S.
Deposit date:2017-08-15
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structures of the Gasdermin D C-Terminal Domains Reveal Mechanisms of Autoinhibition.
Structure, 26, 2018
7WNI
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BU of 7wni by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158
Descriptor: 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMU
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BU of 7wmu by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146
Descriptor: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WN5
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BU of 7wn5 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142
Descriptor: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
3IOP
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BU of 3iop by Molmil
PDK-1 in complex with the inhibitor Compound-8i
Descriptor: 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
Authors:Olland, A.M.
Deposit date:2009-08-14
Release date:2010-02-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
7KHP
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BU of 7khp by Molmil
Acyl-enzyme intermediate structure of SARS-CoV-2 Mpro in complex with its C-terminal autoprocessing sequence.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
Deposit date:2020-10-21
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020
5LSJ
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BU of 5lsj by Molmil
CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C delta-HEAD2 COMPLEX
Descriptor: Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ...
Authors:Vetter, I.R, Petrovic, A, Keller, J, Liu, Y.
Deposit date:2016-09-02
Release date:2016-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
7JOY
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BU of 7joy by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with its C-terminal autoprocessing sequence.
Descriptor: 3C-like proteinase
Authors:Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J.
Deposit date:2020-08-07
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.
Nat Commun, 11, 2020

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数据于2025-07-09公开中

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