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6VKL
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BU of 6vkl by Molmil
Negative stain reconstruction of the yeast exocyst octameric complex.
Descriptor: Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ...
Authors:Frost, A, Munson, M.
Deposit date:2020-01-21
Release date:2020-07-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (15 Å)
Cite:Exocyst structural changes associated with activation of tethering downstream of Rho/Cdc42 GTPases.
J. Cell Biol., 219, 2020
3MTS
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BU of 3mts by Molmil
Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1
Descriptor: Histone-lysine N-methyltransferase SUV39H1
Authors:Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
5CEQ
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BU of 5ceq by Molmil
DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile
Descriptor: 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
4M59
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BU of 4m59 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 in complex with an 18-nt psaJ RNA element
Descriptor: Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA
Authors:Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
8JPP
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BU of 8jpp by Molmil
Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
Deposit date:2023-06-12
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
3KPX
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BU of 3kpx by Molmil
Crystal Structure Analysis of photoprotein clytin
Descriptor: Apophotoprotein clytin-3, C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION
Authors:Titushin, M.S, Li, Y, Stepanyuk, G.A, Wang, B.-C, Lee, J, Vysotski, E.S, Liu, Z.-J.
Deposit date:2009-11-17
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:NMR derived topology of a GFP-photoprotein energy transfer complex
J.Biol.Chem., 285, 2010
6U25
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BU of 6u25 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST
Descriptor: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
Authors:Sack, J.
Deposit date:2019-08-19
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
5I40
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BU of 5i40 by Molmil
BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Descriptor: 1,2-ETHANEDIOL, 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 9, ...
Authors:Murray, J.M.
Deposit date:2016-02-11
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.0402 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
8JPN
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BU of 8jpn by Molmil
Cryo-EM structure of succinate receptor bound to cis-epoxysuccinic acid coupling to Gi
Descriptor: (2R,3S)-oxirane-2,3-dicarboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
Deposit date:2023-06-12
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
5I1Q
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BU of 5i1q by Molmil
Second bromodomain of TAF1 bound to a pyrrolopyridone compound
Descriptor: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1
Authors:Tang, Y, Poy, F, Bellon, S.F.
Deposit date:2016-01-09
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I29
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BU of 5i29 by Molmil
TAF1(2) bound to a pyrrolopyridone compound
Descriptor: CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Tang, Y, Poy, F, Bellon, S.F.
Deposit date:2016-02-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
7RN0
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BU of 7rn0 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R
Descriptor: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-28
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
5I80
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BU of 5i80 by Molmil
BRD4 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4501 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
7RN1
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BU of 7rn1 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
Descriptor: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-28
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
5I7Y
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BU of 5i7y by Molmil
BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide)
Descriptor: 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 9
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4514 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
8K8J
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BU of 8k8j by Molmil
Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y.
Deposit date:2023-07-30
Release date:2024-02-14
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1.
Adv Sci, 11, 2024
8E9F
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BU of 8e9f by Molmil
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Descriptor: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W.
Deposit date:2022-08-26
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
7ND1
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BU of 7nd1 by Molmil
First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain
Descriptor: 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ...
Authors:Cierpicki, T, Lund, G, Jaremko, L.
Deposit date:2021-01-29
Release date:2021-06-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
5XVA
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BU of 5xva by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH216
Descriptor: ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVG
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BU of 5xvg by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH226
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ...
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
7VW2
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BU of 7vw2 by Molmil
Structure of a dimeric periplasmic protein bound with cupric ions
Descriptor: COPPER (II) ION, DUF305 domain-containing protein
Authors:Yang, J, Liu, L.
Deposit date:2021-11-09
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.186 Å)
Cite:Structural basis of copper binding by a dimeric periplasmic protein forming a six-helical bundle.
J.Inorg.Biochem., 229, 2022
7VW1
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BU of 7vw1 by Molmil
Structure of a dimeric periplasmic protein bound with cuprous ions
Descriptor: COPPER (I) ION, DUF305 domain-containing protein
Authors:Yang, J, Liu, L.
Deposit date:2021-11-09
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Structural basis of copper binding by a dimeric periplasmic protein forming a six-helical bundle.
J.Inorg.Biochem., 229, 2022
7VW0
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BU of 7vw0 by Molmil
Structure of a dimeric periplasmic protein
Descriptor: DUF305 domain-containing protein
Authors:Yang, J, Liu, L.
Deposit date:2021-11-09
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Structural basis of copper binding by a dimeric periplasmic protein forming a six-helical bundle.
J.Inorg.Biochem., 229, 2022
4KXF
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BU of 4kxf by Molmil
Crystal structure of NLRC4 reveals its autoinhibition mechanism
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NLR family CARD domain-containing protein 4, SULFATE ION
Authors:Chai, J, Hu, Z.
Deposit date:2013-05-25
Release date:2013-07-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of NLRC4 reveals its autoinhibition mechanism
Science, 341, 2013
3JCO
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BU of 3jco by Molmil
Structure of yeast 26S proteasome in M1 state derived from Titan dataset
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Luan, B, Huang, X.L, Wu, J.P, Shi, Y.G, Wang, F.
Deposit date:2016-01-06
Release date:2016-06-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure of an endogenous yeast 26S proteasome reveals two major conformational states.
Proc.Natl.Acad.Sci.USA, 113, 2016

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