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7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ...
Authors:Liu, Z, Lui, S, Gao, Y.
Deposit date:2022-03-27
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ...
Authors:Liu, Z, Liu, S, Gao, Y.Z.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDL
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BU of 7xdl by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ...
Authors:Liu, Z, Liu, S, Yuanzhu, G.
Deposit date:2022-03-27
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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
5XYX
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BU of 5xyx by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYY
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BU of 5xyy by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
Descriptor: 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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
6IUP
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BU of 6iup by Molmil
Crystal structure of FGFR4 kinase domain in complex with compound 5
Descriptor: DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
Authors:Xu, Y, Liu, Q.
Deposit date:2018-11-29
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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
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
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
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
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
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
6AE8
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BU of 6ae8 by Molmil
Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement
Descriptor: BICINE, Histone H2A.Z-specific chaperone CHZ1, Histone H2B.1,Histone H2A.Z
Authors:Wang, Y.Y, Shan, S, Zhou, Z.
Deposit date:2018-08-03
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into histone chaperone Chz1-mediated H2A.Z recognition and histone replacement.
Plos Biol., 17, 2019
8KBZ
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BU of 8kbz by Molmil
Cryo-EM structure of human ATG9A in LMNG micelles
Descriptor: Autophagy-related protein 9A
Authors:Yang, W, Goran, S.
Deposit date:2023-08-04
Release date:2024-08-07
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural basis for lipid transfer by the ATG2A-ATG9A complex.
Nat.Struct.Mol.Biol., 2024
8IOO
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BU of 8ioo by Molmil
Crystal structure of Deinococcus radiodurans RecJ-like protein in complex with Mg2+
Descriptor: MAGNESIUM ION, RecJ-like protein, SULFATE ION
Authors:Cheng, K.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional investigation of the DHH/DHHA1 family proteins in Deinococcus radiodurans.
Nucleic Acids Res., 52, 2024
9IJB
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BU of 9ijb by Molmil
Crystal structure and function analysis of a highly potential drug target 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis
Descriptor: 6-phosphogluconate dehydrogenase, NAD(+)-dependent, decarboxylating
Authors:Wang, Y.Z, Ren, X.Q, Li, T, Zhang, R.D.
Deposit date:2024-06-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.740405 Å)
Cite:Crystal structure and function analysis of 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 731, 2024
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

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