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5BOF
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BU of 5bof by Molmil
Crystal Structure of Staphylococcus aureus Enolase
Descriptor: Enolase, MAGNESIUM ION, SULFATE ION
Authors:Wu, Y.F, Wang, C.L, Wu, M.H, Han, L, Zhang, X, Zang, J.Y.
Deposit date:2015-05-27
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Octameric structure of Staphylococcus aureus enolase in complex with phosphoenolpyruvate.
Acta Crystallogr.,Sect.D, 71, 2015
6B0F
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BU of 6b0f by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH LSZ102
Descriptor: Estrogen receptor, GLYCEROL, LSZ102
Authors:Kirby, C.A, Baird, J.
Deposit date:2017-09-14
Release date:2018-04-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer.
J. Med. Chem., 61, 2018
5J3F
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BU of 5j3f by Molmil
NMR solution structure of [Rp, Rp]-PT dsDNA
Descriptor: DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3')
Authors:Lan, W, Hu, Z, Cao, C.
Deposit date:2016-03-30
Release date:2016-11-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
5J3G
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BU of 5j3g by Molmil
Solution NMR structure of PT-free dsDNA from Streptomyces lividans
Descriptor: DNA (5'-D(*CP*GP*GP*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*GP*CP*CP*G)-3')
Authors:Lan, W, Cao, C.
Deposit date:2016-03-30
Release date:2016-06-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
8GWA
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BU of 8gwa by Molmil
Structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
Authors:Chen, J.H, Zhang, X.
Deposit date:2022-09-16
Release date:2022-11-23
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-electron microscopy structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium.
J Integr Plant Biol, 65, 2023
5WPW
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BU of 5wpw by Molmil
Crystal structure of coconut allergen cocosin
Descriptor: 11S globulin isoform 1
Authors:Jin, T, Zhang, Y.
Deposit date:2016-11-21
Release date:2017-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Crystal Structure of Cocosin, A Potential Food Allergen from Coconut (Cocos nucifera)
J. Agric. Food Chem., 65, 2017
8JEU
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BU of 8jeu by Molmil
Conformation 2 of the plant potassium channel SKOR
Descriptor: Potassium channel SKOR
Authors:Liu, S, Li, S, Sun, D, Tian, C.
Deposit date:2023-05-16
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
8JET
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BU of 8jet by Molmil
Conformation 1 of the plant potassium channel SKOR
Descriptor: Potassium channel SKOR
Authors:Liu, S, Li, S, Sun, D, Tian, C.
Deposit date:2023-05-16
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
8JEC
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BU of 8jec by Molmil
plant potassium channel SKOR mutant - L271P/D312N
Descriptor: Potassium channel SKOR
Authors:Liu, S, Li, S, Tian, C.
Deposit date:2023-05-15
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5J3I
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BU of 5j3i by Molmil
NMR solution structure of [Sp, Sp]-PT dsDNA
Descriptor: DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3')
Authors:Lan, W, Hu, Z, Cao, C.
Deposit date:2016-03-30
Release date:2016-11-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
5BOE
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BU of 5boe by Molmil
Crystal structure of Staphylococcus aureus enolase in complex with PEP
Descriptor: Enolase, GLYCEROL, MAGNESIUM ION, ...
Authors:Wang, C.L, Wu, Y.F, Han, L, Wu, M.H, Zhang, X, Zang, J.Y.
Deposit date:2015-05-27
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Octameric structure of Staphylococcus aureus enolase in complex with phosphoenolpyruvate
Acta Crystallogr.,Sect.D, 71, 2015
4Y05
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BU of 4y05 by Molmil
KIF2C short Loop2 construct
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION, ...
Authors:Wang, W, Knossow, M, Gigant, B.
Deposit date:2015-02-05
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:New Insights into the Coupling between Microtubule Depolymerization and ATP Hydrolysis by Kinesin-13 Protein Kif2C.
J.Biol.Chem., 290, 2015
5T92
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BU of 5t92 by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
Descriptor: (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor
Authors:Kirby, C, Baird, J.
Deposit date:2016-09-09
Release date:2017-03-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
4Y8X
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BU of 4y8x by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
4Y8Z
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BU of 4y8z by Molmil
Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
Descriptor: (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 1,2-ETHANEDIOL, Coagulation factor XIa, ...
Authors:Sheriff, S.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
4Y8Y
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BU of 4y8y by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
6VAJ
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BU of 6vaj by Molmil
Crystal Structure Analysis of human PIN1
Descriptor: 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-12-17
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Nat.Chem.Biol., 17, 2021
7JMN
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BU of 7jmn by Molmil
Tail module of Mediator complex
Descriptor: MED15, Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 16, ...
Authors:Zhang, H.Q, Chen, D.C.
Deposit date:2020-08-02
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Mediator structure and conformation change.
Mol.Cell, 81, 2021
6LXT
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BU of 6lxt by Molmil
Structure of post fusion core of 2019-nCoV S2 subunit
Descriptor: Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION
Authors:Zhu, Y, Sun, F.
Deposit date:2020-02-11
Release date:2020-02-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion.
Cell Res., 30, 2020
6W7F
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BU of 6w7f by Molmil
Structure of EED bound to inhibitor 5285
Descriptor: 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2020-03-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
5MIO
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BU of 5mio by Molmil
KIF2C-DARPIN FUSION PROTEIN BOUND TO TUBULIN
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF2C,KIF2C FUSED TO A DARPIN,KIF2C FUSED TO A DARPIN, ...
Authors:Wang, W, Gigant, B.
Deposit date:2016-11-28
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Insight into microtubule disassembly by kinesin-13s from the structure of Kif2C bound to tubulin.
Nat Commun, 8, 2017
8DKC
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BU of 8dkc by Molmil
P. gingivalis RNA Polymerase
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Liu, B, Bu, F.
Deposit date:2022-07-05
Release date:2023-06-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM Structure of Porphyromonas gingivalis RNA Polymerase.
J.Mol.Biol., 436, 2024
6W7G
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BU of 6w7g by Molmil
Structure of EED bound to inhibitor 1056
Descriptor: 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ...
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2020-03-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
4APP
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BU of 4app by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
Descriptor: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4
Authors:Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W.
Deposit date:2012-04-04
Release date:2012-06-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012

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數據於2024-07-10公開中

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