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6ESP
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BU of 6esp by Molmil
Proteome-wide analysis of phospho-regulated PDZ domain interactions
Descriptor: Protein scribble homolog
Authors:Chi, N.C.
Deposit date:2017-10-24
Release date:2018-09-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Proteome-wide analysis of phospho-regulated PDZ domain interactions.
Mol. Syst. Biol., 14, 2018
6EWP
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BU of 6ewp by Molmil
Mus musculus CEP120 third C2 domain (C2C)
Descriptor: Centrosomal protein of 120 kDa, HEXAETHYLENE GLYCOL
Authors:van Breugel, M, al-Jassar, C.
Deposit date:2017-11-06
Release date:2018-05-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Disease-Associated Mutations in CEP120 Destabilize the Protein and Impair Ciliogenesis.
Cell Rep, 23, 2018
6EYA
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BU of 6eya by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: Heat shock protein HSP 90-alpha, ~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
8GKV
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BU of 8gkv by Molmil
Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X.
Deposit date:2023-03-20
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis
to be published
6EWH
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BU of 6ewh by Molmil
Oreochromis niloticus CEP120 second C2 domain (C2B) G307S mutant
Descriptor: Centrosomal protein 120
Authors:van Breugel, M, al-Jassar, C, Yu, M.
Deposit date:2017-11-04
Release date:2018-05-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Disease-Associated Mutations in CEP120 Destabilize the Protein and Impair Ciliogenesis.
Cell Rep, 23, 2018
6EYB
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BU of 6eyb by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol, Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
6F1N
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BU of 6f1n by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid, Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-11-22
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
6F3O
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BU of 6f3o by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa complexed with adenine, K+ and Zn2+ cations
Descriptor: ADENINE, Adenosylhomocysteinase, GLYCEROL, ...
Authors:Czyrko, J, Brzezinski, K.
Deposit date:2017-11-28
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa.
Sci Rep, 8, 2018
6F6G
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BU of 6f6g by Molmil
R2-like ligand-binding oxidase V72I mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
6FFS
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BU of 6ffs by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Descriptor: 3C Protease, SULFATE ION, ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Wiesmann, C, Farady, C.
Deposit date:2018-01-09
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6FCA
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BU of 6fca by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-20
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
Descriptor: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
Authors:Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2023-03-18
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
6FC3
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BU of 6fc3 by Molmil
Crystal structure of the eIF4E-p20 complex from Saccharomyces cerevisiae
Descriptor: Cap-associated protein CAF20, Eukaryotic translation initiation factor 4E, GLYCEROL, ...
Authors:Gruener, S, Valkov, E.
Deposit date:2017-12-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural motifs in eIF4G and 4E-BPs modulate their binding to eIF4E to regulate translation initiation in yeast.
Nucleic Acids Res., 46, 2018
6FCC
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BU of 6fcc by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT)
Descriptor: ATP phosphoribosyltransferase, L(+)-TARTARIC ACID
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-20
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FCW
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BU of 6fcw by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRATP
Descriptor: ATP phosphoribosyltransferase, MAGNESIUM ION, PHOSPHORIBOSYL ATP
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6F3T
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BU of 6f3t by Molmil
Crystal structure of the human TAF5-TAF6-TAF9 complex
Descriptor: CHLORIDE ION, Transcription initiation factor TFIID subunit 5, Transcription initiation factor TFIID subunit 6, ...
Authors:Haffke, M, Berger, I.
Deposit date:2017-11-28
Release date:2018-12-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chaperonin CCT checkpoint function in basal transcription factor TFIID assembly.
Nat. Struct. Mol. Biol., 25, 2018
6FDE
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BU of 6fde by Molmil
Crystal Structure of the HHD2 Domain of Whirlin : 3-helix conformation
Descriptor: Whirlin
Authors:Delhommel, F, Cordier, F, Saul, F, Haouz, A, Wolff, N.
Deposit date:2017-12-22
Release date:2018-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural plasticity of the HHD2 domain of whirlin.
FEBS J., 285, 2018
6F6B
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BU of 6f6b by Molmil
R2-like ligand-binding oxidase A171F mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, Ribonucleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019
6FCJ
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BU of 6fcj by Molmil
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Descriptor: 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Arxiv, 2019
6FCT
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BU of 6fct by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP and ATP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 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
6EZD
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BU of 6ezd by Molmil
Pyrrolysyl-tRNA synthetase from Canditatus Methanomethylophilus alvus (MmaPylRS)
Descriptor: Pyrrolysyl-tRNA synthetase
Authors:Pavkov-Keller, T, Schweiger, K, Gruber, K.
Deposit date:2017-11-15
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A new archaeal pyrrolysyl-tRNA synthetase/amber suppressor tRNA pair for orthogonal protein translation
to be published
6F1K
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BU of 6f1k by Molmil
Structure of ARTD2/PARP2 WGR domain bound to double strand DNA without 5'phosphate
Descriptor: CHLORIDE ION, DNA (5'-D(*GP*CP*CP*TP*AP*GP*CP*TP*AP*CP*GP*TP*AP*GP*CP*TP*AP*GP*GP*C)-3'), GLYCEROL, ...
Authors:Obaji, E, Haikarainen, T, Lehtio, L.
Deposit date:2017-11-22
Release date:2018-10-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for DNA break recognition by ARTD2/PARP2.
Nucleic Acids Res., 46, 2018
6F3N
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BU of 6f3n by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with SAH in the presence of K+ and Zn2+ cations
Descriptor: ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ...
Authors:Czyrko, J, Brzezinski, K.
Deposit date:2017-11-28
Release date:2018-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa.
Sci Rep, 8, 2018
8HDD
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BU of 8hdd by Molmil
Complex structure of catalytic, small, and a partial electron transfer subunits from Burkholderia cepacia FAD glucose dehydrogenase
Descriptor: FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Glucose dehydrogenase, ...
Authors:Yoshida, H, Sode, K.
Deposit date:2022-11-04
Release date:2022-12-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Microgravity environment grown crystal structure information based engineering of direct electron transfer type glucose dehydrogenase.
Commun Biol, 5, 2022

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