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5XYZ
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BU of 5xyz by Molmil
The structure of human BTK kinase domain in complex with a covalent inhibitor
Descriptor: N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XIW
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BU of 5xiw by Molmil
Crystal structure of T2R-TTL-Colchicine complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-04-27
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
5XP3
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BU of 5xp3 by Molmil
Crystal structure of apo T2R-TTL
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-31
Release date:2017-10-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
7V9U
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BU of 7v9u by Molmil
Cryo-EM structure of E.coli retron-Ec86 (RT-msDNA-RNA) at 3.2 angstrom
Descriptor: DNA (105-MER), RNA (5'-R(P*CP*GP*UP*AP*AP*GP*GP*G)-3'), RNA (81-MER), ...
Authors:Wang, Y.J, Guan, Z.Y, Zou, T.T.
Deposit date:2021-08-26
Release date:2022-08-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
2O7L
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BU of 2o7l by Molmil
The open-cap conformation of GlpG
Descriptor: Protein glpG, nonyl beta-D-glucopyranoside
Authors:Ha, Y.
Deposit date:2006-12-11
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Open-cap conformation of intramembrane protease GlpG.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7XJG
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BU of 7xjg by Molmil
Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom
Descriptor: DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ...
Authors:Wang, Y.J, Guan, Z.Y, Zou, T.T.
Deposit date:2022-04-17
Release date:2022-09-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
3NCU
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BU of 3ncu by Molmil
Structural and functional insights into pattern recognition by the innate immune receptor RIG-I
Descriptor: 5'-R(*(GDP)P*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3', RIG-I, ZINC ION
Authors:Sheng, G, Li, H.
Deposit date:2010-06-05
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and functional insights into 5'-ppp RNA pattern recognition by the innate immune receptor RIG-I.
Nat.Struct.Mol.Biol., 17, 2010
5EKJ
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BU of 5ekj by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
Descriptor: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.129 Å)
Cite:Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EKH
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BU of 5ekh by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
Descriptor: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Roose, B.W, Dmochowksi, I.J.
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EKM
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BU of 5ekm by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
Descriptor: 2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
3RYT
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BU of 3ryt by Molmil
The Plexin A1 intracellular region in complex with Rac1
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-A1, ...
Authors:Zhang, X, He, H.
Deposit date:2011-05-11
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.582 Å)
Cite:Plexins Are GTPase-Activating Proteins for Rap and Are Activated by Induced Dimerization.
Sci.Signal., 5, 2012
7W92
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BU of 7w92 by Molmil
Open state of SARS-CoV-2 Delta variant spike protein
Descriptor: Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W9E
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BU of 7w9e by Molmil
SARS-CoV-2 Delta S-8D3
Descriptor: Anti-H5N1 hemagglutinin monoclonal anitbody H5M9 heavy chain, Spike glycoprotein, The light chain of 8D3 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W99
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BU of 7w99 by Molmil
SARS-CoV-2 Delta S-ACE2-C2a
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W94
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BU of 7w94 by Molmil
Transition state of SARS-CoV-2 Delta variant spike protein
Descriptor: Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W9C
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BU of 7w9c by Molmil
SARS-CoV-2 Delta S-ACE2-C3
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W98
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BU of 7w98 by Molmil
SARS-CoV-2 Delta S-ACE2-C1
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W9B
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BU of 7w9b by Molmil
SARS-CoV-2 Delta S-ACE2-C2b
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W9F
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BU of 7w9f by Molmil
SARS-CoV-2 Delta S-RBD-8D3
Descriptor: Spike protein S1, The heavy chain of 8D3, The light chain of 8D3
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W9I
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BU of 7w9i by Molmil
SARS-CoV-2 Delta S-RBD-ACE2
Descriptor: Angiotensin-converting enzyme 2, Spike protein S1
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
Descriptor: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
Authors:Gao, M, Cai, W.
Deposit date:2017-11-01
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
Descriptor: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
Authors:Gao, M, Cai, W, Chunwa, C.
Deposit date:2017-11-01
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
2M9M
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BU of 2m9m by Molmil
Solution Structure of ERCC4 domain of human FAAP24
Descriptor: Fanconi anemia-associated protein of 24 kDa
Authors:Wu, F, Han, X, Shi, C, Gong, W, Tian, C.
Deposit date:2013-06-18
Release date:2013-09-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.
Cell Res., 23, 2013
2M9N
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BU of 2m9n by Molmil
Solution Structure of (HhH)2 domain of human FAAP24
Descriptor: Fanconi anemia-associated protein of 24 kDa
Authors:Wu, F, Han, X, Shi, C, Gong, W, Tian, C.
Deposit date:2013-06-18
Release date:2013-09-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.
Cell Res., 23, 2013

224004

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