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2E9O
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BU of 2e9o by Molmil
Structure of h-CHK1 complexed with AA582939
Descriptor: 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, Serine/threonine-protein kinase Chk1
Authors:Park, C.
Deposit date:2007-01-26
Release date:2008-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
2E9P
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BU of 2e9p by Molmil
Structure of h-CHK1 complexed with A771129
Descriptor: 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA, Serine/threonine-protein kinase Chk1
Authors:Park, C.
Deposit date:2007-01-26
Release date:2008-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors
To be Published
2E9U
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BU of 2e9u by Molmil
Structure of h-CHK1 complexed with A780125
Descriptor: 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE, Serine/threonine-protein kinase Chk1
Authors:Park, C.
Deposit date:2007-01-27
Release date:2008-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors
To be Published
2FME
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BU of 2fme by Molmil
Crystal structure of the mitotic kinesin eg5 (ksp) in complex with mg-adp and (r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
Descriptor: (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Sheriff, S.
Deposit date:2006-01-09
Release date:2006-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitors of human mitotic kinesin Eg5: Characterization of the 4-phenyl-tetrahydroisoquinoline lead series
Bioorg.Med.Chem.Lett., 16, 2006
5D1I
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BU of 5d1i by Molmil
Structure of Cyclic nucleotide-binding-like protein from Brucella abortus bv. 1 str. 9-941
Descriptor: Cyclic nucleotide-binding protein
Authors:He, Z, Dong, J, Li, X, Gao, Y.
Deposit date:2015-08-04
Release date:2015-09-09
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of cyclic nucleotide-binding-like protein from Brucella abortus
Biochem.Biophys.Res.Commun., 468, 2015
6LGN
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BU of 6lgn by Molmil
The atomic structure of varicella zoster virus C-capsid
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Li, S, Zheng, Q.
Deposit date:2019-12-05
Release date:2020-07-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids.
Nat Microbiol, 5, 2020
6LGL
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BU of 6lgl by Molmil
The atomic structure of varicella-zoster virus A-capsid
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Zheng, Q, Li, S.
Deposit date:2019-12-05
Release date:2020-07-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids.
Nat Microbiol, 5, 2020
4X1K
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BU of 4x1k by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
Descriptor: 2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Parris, K.D.
Deposit date:2014-11-24
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4X20
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BU of 4x20 by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
Descriptor: 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Parris, K.D.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4X1I
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BU of 4x1i by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
Descriptor: 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Parris, K.D.
Deposit date:2014-11-24
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4X1Y
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BU of 4x1y by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Parris, K.D.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
5WXH
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BU of 5wxh by Molmil
Crystal structure of TAF3 PHD finger bound to H3K4me3
Descriptor: Histone H3K4me3, Transcription initiation factor TFIID subunit 3, ZINC ION
Authors:Zhao, S, Huang, J, Li, H.
Deposit date:2017-01-07
Release date:2017-08-16
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WXG
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BU of 5wxg by Molmil
Structure of TAF PHD finger domain binds to H3(1-15)K4ac
Descriptor: Histone H3K4ac, MAGNESIUM ION, Transcription initiation factor TFIID subunit 3, ...
Authors:Zhao, S, Li, H.
Deposit date:2017-01-07
Release date:2017-08-16
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4Y19
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BU of 4y19 by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS18_alpha, FS18_beta, ...
Authors:Beringer, D.X, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
4Y1A
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BU of 4y1a by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS17_alpha, FS17_beta, ...
Authors:Beringer, D.X, Vivian, J.P, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
4Y3U
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BU of 4y3u by Molmil
The structure of phospholamban bound to the calcium pump SERCA1a
Descriptor: Cardiac phospholamban, POTASSIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Authors:Hurley, T.D.
Deposit date:2015-02-10
Release date:2015-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum.
J. Biol. Chem., 288, 2013
7YTU
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BU of 7ytu by Molmil
Crystal structure of vaccinia virus G3/L5 sub-complex (SeMet-labeled, P31 space group)
Descriptor: Protein G3, Protein L5
Authors:Lin, S, Yue, D, Lu, G.W.
Deposit date:2022-08-16
Release date:2023-02-08
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Crystal structure of vaccinia virus G3/L5 sub-complex reveals a novel fold with extended inter-molecule interactions conserved among orthopoxviruses.
Emerg Microbes Infect, 12, 2023
7YTT
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BU of 7ytt by Molmil
Crystal structure of vaccinia virus G3/L5 sub-complex (SeMet-labeled, P21 space group)
Descriptor: Protein G3, Protein L5
Authors:Lin, S, Yue, D, Lu, G.W.
Deposit date:2022-08-16
Release date:2023-02-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of vaccinia virus G3/L5 sub-complex reveals a novel fold with extended inter-molecule interactions conserved among orthopoxviruses.
Emerg Microbes Infect, 12, 2023
7YS6
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BU of 7ys6 by Molmil
Cryo-EM structure of the Serotonin 6 (5-HT6) receptor-DNGs-scFv16 complex
Descriptor: 5-hydroxytryptamine receptor 6, 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:Zhao, Q.Y, Wang, Y.F, He, L, Wang, S, Cong, Y.
Deposit date:2022-08-11
Release date:2023-03-29
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into constitutive activity of 5-HT 6 receptor.
Proc.Natl.Acad.Sci.USA, 120, 2023
4HXJ
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BU of 4hxj by Molmil
Crystal structure of SH3:RGT complex
Descriptor: C-terminal 3-mer peptide from Integrin beta-3, Proto-oncogene tyrosine-protein kinase Src
Authors:Xiao, R, Meng, G.
Deposit date:2012-11-11
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural framework of c-Src activation by integrin beta 3
Blood, 121, 2013
6P66
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BU of 6p66 by Molmil
The crystal structure of the XPB complex with Bax1 from Archaeoglobus fulgidus at 3.0 Angstrom resolution
Descriptor: CHLORIDE ION, DNA endonuclease Bax1, DNA repair protein RAD25
Authors:DuPrez, K.T, Fan, L, Hilario, E.
Deposit date:2019-06-03
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of the XPB-Bax1 complex as a dynamic helicase-nuclease machinery for DNA repair.
Nucleic Acids Res., 48, 2020
6PE4
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BU of 6pe4 by Molmil
Yeast Vo motor in complex with 1 VopQ molecule
Descriptor: Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ...
Authors:Peng, W, Li, Y, Tomchick, D.R, Orth, K.
Deposit date:2019-06-20
Release date:2020-05-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
6P4F
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BU of 6p4f by Molmil
Crystal structure of the XPB-Bax1-forked DNA ternary complex
Descriptor: CHLORIDE ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*TP*TP*TP*GP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*GP*TP*AP*GP*GP*TP*TP*TP*CP*CP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), ...
Authors:He, F, Hilario, E, Fan, L.
Deposit date:2019-05-27
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural basis of the XPB helicase-Bax1 nuclease complex interacting with the repair bubble DNA.
Nucleic Acids Res., 48, 2020
6PE5
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BU of 6pe5 by Molmil
Yeast Vo motor in complex with 2 VopQ molecules
Descriptor: Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ...
Authors:Peng, W, Li, Y, Tomchick, D.R, Orth, K.
Deposit date:2019-06-20
Release date:2020-05-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
2OCV
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BU of 2ocv by Molmil
Structural basis of Na+ activation mimicry in murine thrombin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin
Authors:Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E.
Deposit date:2006-12-21
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of na+ activation mimicry in murine thrombin.
J.Biol.Chem., 282, 2007

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