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7NWK
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BU of 7nwk by Molmil
Crystal structure of CDK9-Cyclin T1 bound by compound 6
Descriptor: Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide
Authors:Collie, G.W, Ferguson, A.D.
Deposit date:2021-03-16
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
6IYC
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BU of 6iyc by Molmil
Recognition of the Amyloid Precursor Protein by Human gamma-secretase
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, R, Yang, G, Guo, X, Zhou, Q, Lei, J, Shi, Y.
Deposit date:2018-12-14
Release date:2019-01-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Recognition of the amyloid precursor protein by human gamma-secretase.
Science, 363, 2019
2HWM
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BU of 2hwm by Molmil
Crystal structure of Lys12Val/Cys117Val mutant of human acidic fibroblast growth factor at 1.60 angstrom resolution
Descriptor: FORMIC ACID, Heparin-binding growth factor 1
Authors:Dubey, V.K, Lee, J, Somasundaram, T, Blaber, M.
Deposit date:2006-08-01
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Spackling the crack: stabilizing human fibroblast growth factor-1 by targeting the N and C terminus beta-strand interactions.
J.Mol.Biol., 371, 2007
2FHY
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BU of 2fhy by Molmil
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
Descriptor: 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Abad-Zapatero, C.
Deposit date:2005-12-27
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
2HI3
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BU of 2hi3 by Molmil
Solution structure of the homeodomain-only protein HOP
Descriptor: Homeodomain-only protein
Authors:Mackay, J.P, Kook, H, Epstein, J.A, Simpson, R.J, Yung, W.W.
Deposit date:2006-06-28
Release date:2007-01-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Analysis of the structure and function of the transcriptional coregulator HOP
Biochemistry, 45, 2006
2RK4
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BU of 2rk4 by Molmil
Structure of M26I DJ-1
Descriptor: Protein DJ-1
Authors:Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A.
Deposit date:2007-10-16
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
3GCB
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BU of 3gcb by Molmil
GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A/DELTAK454
Descriptor: GAL6, GLYCEROL, SULFATE ION
Authors:Joshua-Tor, L, Zheng, W, Johnston, S.A.
Deposit date:1998-02-27
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase.
Cell(Cambridge,Mass.), 93, 1998
2G9A
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BU of 2g9a by Molmil
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
Descriptor: Histone H3, WD-repeat protein 5
Authors:Chai, J, Han, Z, Wang, H, Shen, Y.
Deposit date:2006-03-06
Release date:2006-09-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
To be published
6TUN
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BU of 6tun by Molmil
Helicase domain complex
Descriptor: CDK-activating kinase assembly factor MAT1, CHLORIDE ION, General transcription and DNA repair factor IIH helicase subunit XPD
Authors:Sauer, F, Kisker, C.
Deposit date:2020-01-07
Release date:2020-11-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:In TFIIH the Arch domain of XPD is mechanistically essential for transcription and DNA repair.
Nat Commun, 11, 2020
8X54
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BU of 8x54 by Molmil
Cryo-EM structure of human gamma-secretase in complex with APP-C99
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-11-16
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of substrate recognition and cleavage by human gamma-secretase.
Science, 384, 2024
8X52
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BU of 8x52 by Molmil
Cryo-EM structure of human gamma-secretase in complex with Abeta49
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-11-16
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of substrate recognition and cleavage by human gamma-secretase.
Science, 384, 2024
1M4B
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BU of 1m4b by Molmil
Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
Descriptor: 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
8X53
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BU of 8x53 by Molmil
Cryo-EM structure of human gamma-secretase in complex with Abeta46
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-11-16
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular mechanism of substrate recognition and cleavage by human gamma-secretase.
Science, 384, 2024
6L1T
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BU of 6l1t by Molmil
Cryo-EM structure of phosphorylated Tyr39 a-synuclein amyloid fibril
Descriptor: Alpha-synuclein
Authors:Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y.
Deposit date:2019-09-30
Release date:2020-08-12
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
4AWJ
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BU of 4awj by Molmil
pVHL:EloB:EloC complex, in complex with capped Hydroxyproline
Descriptor: (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ...
Authors:Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A.
Deposit date:2012-06-04
Release date:2012-11-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
3D87
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BU of 3d87 by Molmil
Crystal structure of Interleukin-23
Descriptor: Interleukin-12 subunit p40, Interleukin-23 subunit p19, PHOSPHATE ION, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
2HAP
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BU of 2hap by Molmil
STRUCTURE OF A HAP1-18/DNA COMPLEX REVEALS THAT PROTEIN/DNA INTERACTIONS CAN HAVE DIRECT ALLOSTERIC EFFECTS ON TRANSCRIPTIONAL ACTIVATION
Descriptor: DNA (5'-D(*AP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*T)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ...
Authors:King, D.A, Zhang, L, Guarente, L, Marmorstein, R.
Deposit date:1998-09-17
Release date:1999-11-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of HAP1-18-DNA implicates direct allosteric effect of protein-DNA interactions on transcriptional activation.
Nat.Struct.Biol., 6, 1999
3D85
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BU of 3d85 by Molmil
Crystal structure of IL-23 in complex with neutralizing FAB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FAB of antibody 7G10, heavy chain, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
6L1U
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BU of 6l1u by Molmil
Cryo-EM structure of phosphorylated Tyr39 alpha-synuclein amyloid fibril
Descriptor: Alpha-synuclein
Authors:Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y.
Deposit date:2019-09-30
Release date:2020-08-12
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
3DUH
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BU of 3duh by Molmil
Structure of Interleukin-23
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha
Authors:Lupardus, P.J, Garcia, K.C.
Deposit date:2008-07-17
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12.
J.Mol.Biol., 382, 2008
2XWU
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BU of 2xwu by Molmil
CRYSTAL STRUCTURE OF IMPORTIN 13 - UBC9 COMPLEX
Descriptor: IMPORTIN13, SUMO-CONJUGATING ENZYME UBC9
Authors:Gruenwald, M, Bono, F.
Deposit date:2010-11-05
Release date:2010-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Importin13-Ubc9 Complex: Nuclear Import and Release of a Key Regulator of Sumoylation.
Embo J., 30, 2011
7RQZ
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BU of 7rqz by Molmil
Cryo-EM structure of the full-length TRPV1 with RTx at 48 degrees Celsius, in an open state, class alpha
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ...
Authors:Kwon, D.H, Suo, Y, Lee, S.-Y.
Deposit date:2021-08-08
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
7RQY
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BU of 7rqy by Molmil
Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an open state, class B
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ...
Authors:Kwon, D.H, Suo, Y, Lee, S.-Y.
Deposit date:2021-08-08
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
7RQX
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BU of 7rqx by Molmil
Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an intermediate-open state, class A
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
Authors:Kwon, D.H, Suo, Y, Lee, S.-Y.
Deposit date:2021-08-08
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
7RQU
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BU of 7rqu by Molmil
Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in a closed state, class I
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, SODIUM ION, ...
Authors:Kwon, D.H, Suo, Y, Lee, S.-Y.
Deposit date:2021-08-08
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022

223532

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