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5HE2
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BU of 5he2 by Molmil
Bovine GRK2 in complex with Gbetagamma subunits and CCG224406
Descriptor: (4~{S})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cato, M.C, Waninger-Saroni, J, Tesmer, J.J.G.
Deposit date:2016-01-05
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
3V7D
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BU of 3v7d by Molmil
Crystal Structure of ScSkp1-ScCdc4-pSic1 peptide complex
Descriptor: Cell division control protein 4, Protein SIC1, Suppressor of kinetochore protein 1
Authors:Tang, X, Orlicky, S, Mittag, T, Csizmok, V, Pawson, T, Forman-Kay, J, Sicheri, F, Tyers, M.
Deposit date:2011-12-20
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:Composite low affinity interactions dictate recognition of the cyclin-dependent kinase inhibitor Sic1 by the SCFCdc4 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UVO
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BU of 3uvo by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1B
Descriptor: Histone-lysine N-methyltransferase SETD1B, WD repeat-containing protein 5
Authors:Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
5HE1
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BU of 5he1 by Molmil
Human GRK2 in complex with Gbetagamma subunits and CCG224062
Descriptor: (4~{S})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cato, M.C, Tesmer, J.J.G.
Deposit date:2016-01-05
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
4A0K
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BU of 4a0k by Molmil
STRUCTURE OF DDB1-DDB2-CUL4A-RBX1 BOUND TO A 12 BP ABASIC SITE CONTAINING DNA-DUPLEX
Descriptor: 12 BP DNA, 12 BP THF CONTAINING DNA, CULLIN-4A, ...
Authors:Fischer, E.S, Scrima, A, Gut, H, Thoma, N.H.
Deposit date:2011-09-09
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (5.93 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation.
Cell(Cambridge,Mass.), 147, 2011
4A0B
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BU of 4a0b by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp CPD-duplex (pyrimidine at D-1 position) at 3.8 A resolution (CPD 4)
Descriptor: 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*DGP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*DGP)-3', DNA DAMAGE-BINDING PROTEIN 1, ...
Authors:Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H.
Deposit date:2011-09-08
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
4A0L
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BU of 4a0l by Molmil
Structure of DDB1-DDB2-CUL4B-RBX1 bound to a 12 bp abasic site containing DNA-duplex
Descriptor: 12 BP DNA DUPLEX, 12 BP THF CONTAINING DNA DUPLEX, CULLIN-4B, ...
Authors:Fischer, E.S, Scrima, A, Gut, H, Thoma, N.H.
Deposit date:2011-09-09
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (7.4 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation.
Cell(Cambridge,Mass.), 147, 2011
4A08
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BU of 4a08 by Molmil
Structure of hsDDB1-drDDB2 bound to a 13 bp CPD-duplex (purine at D-1 position) at 3.0 A resolution (CPD 1)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*CP*GP*CP*GP*AP*(TTD)P*GP*CP*GP*CP*CP*C)-3', 5'-D(*TP*GP*GP*GP*CP*GP*CP*CP*CP*TP*CP*GP*CP*G)-3', ...
Authors:Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H.
Deposit date:2011-09-08
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
4A0A
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BU of 4a0a by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp CPD-duplex (pyrimidine at D-1 position) at 3.6 A resolution (CPD 3)
Descriptor: 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*GP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*DGP)-3', CALCIUM ION, ...
Authors:Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H.
Deposit date:2011-09-08
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
4A09
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BU of 4a09 by Molmil
Structure of hsDDB1-drDDB2 bound to a 15 bp CPD-duplex (purine at D-1 position) at 3.1 A resolution (CPD 2)
Descriptor: 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*GP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*GP)-3', CALCIUM ION, ...
Authors:Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H.
Deposit date:2011-09-08
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
4AQ4
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BU of 4aq4 by Molmil
substrate bound sn-glycerol-3-phosphate binding periplasmic protein ugpB from Escherichia coli
Descriptor: CADMIUM ION, COBALT (II) ION, GLYCEROL, ...
Authors:Wuttge, S, Bommer, M, Jaeger, F, Martins, B.M, Jacob, S, Licht, A, Scheffel, F, Dobbek, H, Schneider, E.
Deposit date:2012-04-13
Release date:2012-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Determinants of Substrate Specificity and Biochemical Properties of the Sn-Glycerol-3-Phosphate ATP Binding Cassette Transporter (Ugpb-Aec(2) ) of Escherichia Coli.
Mol.Microbiol., 86, 2012
6OM0
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BU of 6om0 by Molmil
Human ribosome nascent chain complex (PCSK9-RNC) stalled by a drug-like molecule with AP and PE tRNAs
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Li, W, Cate, J.H.D.
Deposit date:2019-04-17
Release date:2019-06-19
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for selective stalling of human ribosome nascent chain complexes by a drug-like molecule.
Nat.Struct.Mol.Biol., 26, 2019
6OSA
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BU of 6osa by Molmil
human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in non-canonical conformation (NC state)
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(i) subunit alpha-1, ...
Authors:Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G.
Deposit date:2019-05-01
Release date:2019-07-10
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019
6UIF
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BU of 6uif by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-09-30
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
3PVU
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BU of 3pvu by Molmil
Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD101)
Descriptor: 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Thal, D.M, Tesmer, J.J.
Deposit date:2010-12-07
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol.Pharmacol., 80, 2011
6AH0
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BU of 6ah0 by Molmil
The Cryo-EM Structure of the Precusor of Human Pre-catalytic Spliceosome (pre-B complex)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zhan, X, Yan, C, Zhang, X, Shi, Y.
Deposit date:2018-08-15
Release date:2018-11-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of the human pre-catalytic spliceosome and its precursor spliceosome.
Cell Res., 28, 2018
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
Descriptor: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
Authors:Liu, H.
Deposit date:2022-11-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
6OT0
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BU of 6ot0 by Molmil
Structure of human Smoothened-Gi complex
Descriptor: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL, Fab heavy chain, Fab light chain, ...
Authors:Qi, X, Li, X.
Deposit date:2019-05-02
Release date:2019-06-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of oxysterol-bound human Smoothened coupled to a heterotrimeric Gi.
Nature, 571, 2019
6U5Y
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BU of 6u5y by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-08-28
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
5XJC
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BU of 5xjc by Molmil
Cryo-EM structure of the human spliceosome just prior to exon ligation at 3.6 angstrom
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, X, Yan, C, Hang, J, Finci, I.L, Lei, J, Shi, Y.
Deposit date:2017-04-30
Release date:2017-07-05
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:An Atomic Structure of the Human Spliceosome
Cell, 169, 2017
6OS9
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BU of 6os9 by Molmil
human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in canonical conformation (C state)
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(i) subunit alpha-1, ...
Authors:Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G.
Deposit date:2019-05-01
Release date:2019-07-10
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019
6O8Z
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BU of 6o8z by Molmil
Cryo-EM image reconstruction of the 70S Ribosome Enterococcus faecalis Class04
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Jogl, G, Khayat, R.
Deposit date:2019-03-12
Release date:2020-09-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Cryo-electron microscopy structure of the 70S ribosome from Enterococcus faecalis.
Sci Rep, 10, 2020
6OLE
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BU of 6ole by Molmil
Human ribosome nascent chain complex (CDH1-RNC) stalled by a drug-like molecule with AP and PE tRNAs
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Li, W, Cate, J.H.D.
Deposit date:2019-04-16
Release date:2019-06-19
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for selective stalling of human ribosome nascent chain complexes by a drug-like molecule.
Nat.Struct.Mol.Biol., 26, 2019
6UJH
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BU of 6ujh by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
3EI2
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BU of 3ei2 by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp abasic site containing DNA-duplex
Descriptor: 5'-D(*DAP*DAP*DAP*DTP*DGP*DAP*DAP*DTP*(3DR)P*DAP*DAP*DGP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DCP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DTP*DT)-3', DNA damage-binding protein 1, ...
Authors:Scrima, A, Thoma, N.H.
Deposit date:2008-09-15
Release date:2009-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008

224572

数据于2024-09-04公开中

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