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5T7V
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BU of 5t7v by Molmil
Methicillin Resistant, Linezolid resistant Staphylococcus aureus 70S ribosome (delta S145 uL3)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Belousoff, M.J, Lithgow, T, Eyal, Z, Yonath, A, Radjainia, M.
Deposit date:2016-09-06
Release date:2017-05-31
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for Linezolid Binding Site Rearrangement in theStaphylococcus aureusRibosome.
MBio, 8, 2017
5TCU
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BU of 5tcu by Molmil
Methicillin sensitive Staphylococcus aureus 70S ribosome
Descriptor: 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ...
Authors:Eyal, Z, Ahmed, T, Belousoff, N, Mishra, S, Matzov, D, Bashan, A, Zimmerman, E, Lithgow, T, Bhushan, S, Yonath, A.
Deposit date:2016-09-15
Release date:2017-05-24
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Basis for Linezolid Binding Site Rearrangement in the Staphylococcus aureus Ribosome.
MBio, 8, 2017
6FJ2
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BU of 6fj2 by Molmil
Structure of Thermolysin solved from SAD data collected at the peak of the Zn absorption edge on ID30B
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-19
Release date:2018-01-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FJ9
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BU of 6fj9 by Molmil
Structure of Thaumatin collected from an in situ crystal on ID30B at 17.5 keV.
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-21
Release date:2018-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FJ4
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BU of 6fj4 by Molmil
Structure of FAE solved by SAD from data collected at the peak of the Selenium absorption edge on ID30B
Descriptor: CADMIUM ION, Endo-1,4-beta-xylanase Y, GLYCEROL, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-19
Release date:2018-02-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FJ6
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BU of 6fj6 by Molmil
Structure of Thaumatin collected at 100K on ID30B
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-20
Release date:2018-02-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FID
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BU of 6fid by Molmil
Bovine trypsin solved by S-SAD on ID30B
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-18
Release date:2018-02-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6FJ8
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BU of 6fj8 by Molmil
Structure of Thaumatin collected from an in situ crystal collected on ID30B at 12.7 keV.
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-21
Release date:2018-01-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6GC2
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BU of 6gc2 by Molmil
AbLIFT: Antibody stability and affinity optimization by computational design of the variable light-heavy chain interface
Descriptor: Heavy chain, Light Chain
Authors:Warszawski, S, Katz, A, Khmelnitsky, L, Ben Nissan, G, Javitt, G, Dym, O, Unger, T, Knop, O, Diskin, R, Albeck, S, Fass, D, Sharon, M, Fleishman, S.J.
Deposit date:2018-04-17
Release date:2019-05-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Optimizing antibody affinity and stability by the automated design of the variable light-heavy chain interfaces.
Plos Comput.Biol., 15, 2019
6GBL
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BU of 6gbl by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GBJ
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BU of 6gbj by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
7B38
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BU of 7b38 by Molmil
Torpedo californica acetylcholinesterase complexed with Mg+2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L.
Deposit date:2020-11-29
Release date:2021-03-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
7B8E
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BU of 7b8e by Molmil
Torpedo californica acetylcholinesterase complexed with Ca+2
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L.
Deposit date:2020-12-12
Release date:2021-03-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
7B2W
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BU of 7b2w by Molmil
Torpedo californica acetylcholinesterase complexed with UO2
Descriptor: Acetylcholinesterase, URANYL (VI) ION
Authors:Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L.
Deposit date:2020-11-28
Release date:2021-03-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
6GG1
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BU of 6gg1 by Molmil
Structure of PROSS-edited human interleukin 24
Descriptor: Interleukin-24, NICKEL (II) ION, SULFATE ION
Authors:Kolenko, P, Zahradnik, J, Kolarova, L, Schneider, B.
Deposit date:2018-05-02
Release date:2019-05-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1.
Febs J., 286, 2019
8HDV
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BU of 8hdv by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HDU
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BU of 8hdu by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
6MKM
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BU of 6mkm by Molmil
Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ...
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
6MK3
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BU of 6mk3 by Molmil
Crystallographic solvent mapping analysis of DMSO bound to APE1
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-24
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
6MKO
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BU of 6mko by Molmil
Crystallographic solvent mapping analysis of glycerol bound to APE1
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, GLYCEROL
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
9DLI
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BU of 9dli by Molmil
PKD2 ion channel, R638C variant
Descriptor: Polycystin-2
Authors:Esarte Palomero, O, DeCaen, P.G.
Deposit date:2024-09-11
Release date:2025-03-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:PKD2 ion channel, R638C variant
To Be Published
6MKK
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BU of 6mkk by Molmil
Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ...
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.442 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
6S0S
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BU of 6s0s by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, ribostamycin B and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, Kanamycin B dioxygenase, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0W
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BU of 6s0w by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate
Descriptor: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, Kanamycin B dioxygenase, ...
Authors:Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021

238582

數據於2025-07-09公開中

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