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4ZN9
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BU of 4zn9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS)
Descriptor: Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-04
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.215 Å)
Cite:Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7, 2012
2R3W
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BU of 2r3w by Molmil
I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor
Descriptor: CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), Protease
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-08-30
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
5GV0
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BU of 5gv0 by Molmil
Crystal structure of the membrane-proximal domain of mouse lysosome-associated membrane protein 1 (LAMP-1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome-associated membrane glycoprotein 1, SULFATE ION
Authors:Tomabechi, Y, Ehara, H, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2016-09-01
Release date:2016-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Lysosome-associated membrane proteins-1 and -2 (LAMP-1 and LAMP-2) assemble via distinct modes
Biochem.Biophys.Res.Commun., 479, 2016
5T9V
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BU of 5t9v by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 1)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-09
Release date:2016-10-12
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
9ELG
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BU of 9elg by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron KP.3.1.1 spike RBD and NTD (local refinement of RBD and NTD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-05-28
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
9ELQ
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BU of 9elq by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11.1+S31 deletion spike protein (closed state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-05-28
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
9ELO
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BU of 9elo by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11+S31 deletion spike protein (closed state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-05-28
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
Descriptor: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
Authors:Li, W, Feng, W.
Deposit date:2019-07-31
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
9ELE
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BU of 9ele by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron KP.3.1.1 RBD in complex with human ACE2 (local refinement of RBD and hACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-05-28
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
9ELN
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BU of 9eln by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11+S31 deletion spike protein (one RBD up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-05-28
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
3DN2
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BU of 3dn2 by Molmil
Bromopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
Descriptor: 1-bromo-2,3,4,5,6-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2008-07-01
Release date:2008-11-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
5TL8
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BU of 5tl8 by Molmil
Naegleria fowleri CYP51-posaconazole complex
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, POSACONAZOLE, ...
Authors:Podust, L.M, Jennings, G, Calvet-Alvarez, C, Debnath, A.
Deposit date:2016-10-10
Release date:2017-10-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of the Naegleria fowleri CYP51 at 1.7 Angstroms resolution
To be published
9ELM
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BU of 9elm by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11 spike protein (closed state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-06-04
Last modified:2025-08-27
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
2R38
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BU of 2r38 by Molmil
I84V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor
Descriptor: 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-08-29
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
7WRS
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BU of 7wrs by Molmil
Crystal structure of the chicken isoleucyl-tRNA synthetase 1 (IARS1) UNE-I complexed with glutamyl-tRNA synthetase 1 (EARS1)
Descriptor: Glutamyl-tRNA synthetase, Isoleucyl-tRNA synthetase
Authors:Chung, S, Cho, Y.
Deposit date:2022-01-27
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulation of BRCA1 stability through the tandem UBX domains of isoleucyl-tRNA synthetase 1.
Nat Commun, 13, 2022
9ELJ
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BU of 9elj by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11+Q493E+S31deletion spike protein (one RBD up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-06-04
Last modified:2025-08-27
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
4PY3
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BU of 4py3 by Molmil
Crystal Structure of the N-terminal FIC domain of Bep8 protein (VirB-translocated Bartonella effector protein) from Bartonella sp. 1-1C
Descriptor: 1,2-ETHANEDIOL, Bartonella effector protein (Bep) substrate of VirB T4SS
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-03-25
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
9ELL
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BU of 9ell by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11 spike protein (one RBD up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-06-04
Last modified:2025-08-27
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
9ELK
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BU of 9elk by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron JN.1.11+Q493E+S31deletion spike protein (closed state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Feng, Z, Huang, J, Ward, A.B.
Deposit date:2024-12-04
Release date:2025-06-04
Last modified:2025-08-27
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Structural and functional insights into the evolution of SARS-CoV-2 KP.3.1.1 spike protein.
Cell Rep, 44, 2025
4CTC
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BU of 4ctc by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one
Descriptor: (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E.
Deposit date:2014-03-12
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
3DN8
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BU of 3dn8 by Molmil
Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant (seleno version)
Descriptor: 1,2,3,4,5-pentafluoro-6-iodobenzene, 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2008-07-01
Release date:2008-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
1WH4
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BU of 1wh4 by Molmil
Solution structure of the DEATH domain of Interleukin-1 receptor-associated kinase4 (IRAK4) from Mus musculus
Descriptor: interleukin-1 receptor-associated kinase 4
Authors:Nameki, N, Tomizawa, T, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the DEATH domain of Interleukin-1 receptor-associated kinase4 (IRAK4) from Mus musculus
To be Published
3DHA
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BU of 3dha by Molmil
An Ultral High Resolution Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at An Alternative Site
Descriptor: GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ...
Authors:Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D.
Deposit date:2008-06-17
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures.
Biochemistry, 47, 2008
9J6G
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BU of 9j6g by Molmil
Cryo-EM structure of Bat SARS-like coronavirus Khosta-1 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Pan, X.Q, Li, L.J, Liu, K.F, Qi, J.X, Gao, G.F.
Deposit date:2024-08-15
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of receptor recognition by Khosta-1/Khosta-2 spike proteins
To Be Published
7EC9
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BU of 7ec9 by Molmil
Structure of the Thermotoga maritima Family 5 endo-glucanase in complex with 1-deoxynojiromycin
Descriptor: 1-DEOXYNOJIRIMYCIN, Endoglucanase, ISOPROPYL ALCOHOL
Authors:Manoj, N, Garg, P.
Deposit date:2021-03-11
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of an iminosugar complex of a glycoside hydrolase family 5 lichenase provides insights into the active site.
Biochimie, 204, 2023

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