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7LPA
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BU of 7lpa by Molmil
Cryo-EM structure of full-length TRPV1 with capsaicin at 4 degrees Celsius
Descriptor: (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, ...
Authors:Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
Deposit date:2021-02-11
Release date:2021-07-28
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
7LP9
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BU of 7lp9 by Molmil
Cryo-EM structure of full-length TRPV1 at 4 degrees Celsius
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ...
Authors:Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
Deposit date:2021-02-11
Release date:2021-07-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
7LPC
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BU of 7lpc by Molmil
Cryo-EM structure of full-length TRPV1 at 48 degrees Celsius
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ...
Authors:Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
Deposit date:2021-02-11
Release date:2021-07-28
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
3PH5
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BU of 3ph5 by Molmil
Bovine beta lactoglobulin crystallized through ligandation of yttrium cations
Descriptor: Beta-lactoglobulin, CHLORIDE ION, YTTRIUM (III) ION
Authors:Zocher, G, Stehle, T.
Deposit date:2010-11-03
Release date:2011-09-21
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel Approach to Protein Crystallization through Ligandation of Yttrium Cations
J.Appl.Crystallogr., 44, 2011
3PH6
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BU of 3ph6 by Molmil
Bovine beta lactoglobulin crytsallized through ligandation of yttrium
Descriptor: Beta-lactoglobulin, CHLORIDE ION, YTTRIUM (III) ION
Authors:Zocher, G, Stehle, T.
Deposit date:2010-11-03
Release date:2011-09-21
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Novel Approach to Protein Crystallization through Ligandation of Yttrium Cations
J.Appl.Crystallogr., 44, 2011
8E7M
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BU of 8e7m by Molmil
Structure of the human ACE2 receptor in complex with antibody Fab fragment, 05B04
Descriptor: 05B04 Heavy Chain, 05B04 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barnes, C.O.
Deposit date:2022-08-24
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Human anti-ACE2 monoclonal antibodies as pan-sarbecovirus prophylactic agents
Biorxiv, 2022
5JDS
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BU of 5jds by Molmil
Crystal structure of PD-L1 complexed with a nanobody at 1.7 Angstron resolution
Descriptor: CHLORIDE ION, Nanobody, Programmed cell death 1 ligand 1, ...
Authors:Zhou, A, Wei, H.
Deposit date:2016-04-17
Release date:2017-04-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade.
Cell Discov, 3, 2017
5JDR
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BU of 5jdr by Molmil
Structure of PD-L1
Descriptor: Programmed cell death 1 ligand 1
Authors:Zhou, A, Wei, H.
Deposit date:2016-04-17
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade.
Cell Discov, 3, 2017
6RQM
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BU of 6rqm by Molmil
A blocking anti-CTLA-4 Nanobody (KN044) complexed with CTLA-4
Descriptor: A blocking anti-CTLA-4 nanobody (KN044), Cytotoxic T-lymphocyte protein 4
Authors:Zhang, F, Zhou, A, Gao, H.
Deposit date:2019-05-16
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:A blocking anti-CTLA-4 Nanobody (KN044) complexed with CTLA-4
To Be Published
6DNE
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BU of 6dne by Molmil
Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660
Descriptor: Bromodomain-containing protein 4, N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
Authors:Ren, C, Zhou, M.M.
Deposit date:2018-06-06
Release date:2018-07-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.958 Å)
Cite:Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DJC
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BU of 6djc by Molmil
Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
Authors:Ren, C, Zhou, M.M.
Deposit date:2018-05-25
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
5GPL
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BU of 5gpl by Molmil
Crystal structure of Ccp1
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
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
3E64
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BU of 3e64 by Molmil
Fragment based discovery of JAK-2 inhibitors
Descriptor: 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2
Authors:Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E63
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BU of 3e63 by Molmil
Fragment based discovery of JAK-2 inhibitors
Descriptor: 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
Authors:Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E62
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BU of 3e62 by Molmil
Fragment based discovery of JAK-2 inhibitors
Descriptor: 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
Authors:Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5Y27
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BU of 5y27 by Molmil
Crystal structure of Se-Met Dpb4-Dpb3
Descriptor: DNA polymerase epsilon subunit D, GLYCEROL, Putative transcription factor C16C4.22
Authors:Li, Y, Gao, F, Su, M, Zhang, F.B, Chen, Y.H.
Deposit date:2017-07-24
Release date:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Coordinated regulation of heterochromatin inheritance by Dpb3-Dpb4 complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7A9C
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BU of 7a9c by Molmil
Human serum albumin (HSA) crystallized in the presence of yttrium (III) chloride
Descriptor: Albumin, YTTRIUM (III) ION
Authors:Zocher, G, Stehle, T.
Deposit date:2020-09-01
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Protein Crystallization in the Presence of a Metastable Liquid-Liquid Phase Separation
Cryst.Growth Des., 2020
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
8IAZ
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BU of 8iaz by Molmil
Cryo-EM structure of the ISFba1 TnpB-reRNA-dsDNA complex
Descriptor: DNA (5'-D(P*AP*CP*AP*TP*GP*GP*AP*CP*CP*AP*TP*CP*AP*GP*CP*TP*CP*CP*TP*AP*AP*TP*GP*G)-3'), DNA (5'-D(P*CP*CP*AP*TP*TP*AP*GP*GP*AP*GP*CP*TP*GP*AP*TP*G)-3'), RNA (207-MER), ...
Authors:Yin, M, Zhou, F, Zhu, Y, Huang, Z.
Deposit date:2023-02-09
Release date:2024-04-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Discovery and structural mechanism of DNA endonucleases guided by RAGATH-18-derived RNAs.
Cell Res., 34, 2024
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
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
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024

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