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PDB: 51964 results

2NW6
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BU of 2nw6 by Molmil
Burkholderia cepacia lipase complexed with S-inhibitor
Descriptor: (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE, CALCIUM ION, Lipase, ...
Authors:Luic, M, Stefanic, Z.
Deposit date:2006-11-14
Release date:2007-12-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combined X-ray diffraction and QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification
J.Phys.Chem.B, 112, 2008
4NIV
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BU of 4niv by Molmil
Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) trigonal form
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL
Authors:Schoepfel, M, Parthier, C, Stubbs, M.T.
Deposit date:2013-11-08
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1 Å)
Cite:N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
8PUW
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BU of 8puw by Molmil
Chaetomium thermophilum Las1-Grc3-complex
Descriptor: Las1, Polynucleotide 5'-hydroxyl-kinase GRC3
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2023-11-15
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
5HLY
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BU of 5hly by Molmil
Structure of Pro-Activin A Precursor at 2.3 A Resolution
Descriptor: CHLORIDE ION, Inhibin beta A chain
Authors:Wang, X, Fischer, G, Hyvonen, M.
Deposit date:2016-01-15
Release date:2016-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structure and activation of pro-activin A.
Nat Commun, 7, 2016
8PV3
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BU of 8pv3 by Molmil
Chaetomium thermophilum pre-60S State 9 - pre-5S rotation - immature H68/H69 - composite structure
Descriptor: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2023-11-15
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
7RR5
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BU of 7rr5 by Molmil
Structure of ribosomal complex bound with Rbg1/Tma46
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0, ...
Authors:Zeng, F, Li, X, Pires-Alves, M, Chen, X, Hawk, C.W, Jin, H.
Deposit date:2021-08-09
Release date:2021-11-10
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Conserved heterodimeric GTPase Rbg1/Tma46 promotes efficient translation in eukaryotic cells.
Cell Rep, 37, 2021
6ZJ1
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BU of 6zj1 by Molmil
Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with tetrasaccharide N-glycan fragment and hexatungstotellurate(VI) TEW
Descriptor: 6-tungstotellurate(VI), Glycoprotein endo-alpha-1,2-mannosidase, MAGNESIUM ION, ...
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-27
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.957 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
2YP0
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BU of 2yp0 by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, crystallized with 2'-AMPS
Descriptor: 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, 2'-O-(sulfidophosphinato)adenosine, ...
Authors:Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P.
Deposit date:2012-10-29
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
J.Mol.Biol., 425, 2013
6ZJ5
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BU of 6zj5 by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcDMJ and hexatungstotellurate(VI) TEW
Descriptor: 1-DEOXYMANNOJIRIMYCIN, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-tungstotellurate(VI), ...
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-27
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.269 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
3CS5
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BU of 3cs5 by Molmil
NblA protein from Synechococcus elongatus PCC 7942
Descriptor: Phycobilisome degradation protein nblA
Authors:Dines, M, Sendersky, E, Schwarz, R, Adir, N.
Deposit date:2008-04-09
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural, Functional, and Mutational Analysis of the NblA Protein Provides Insight into Possible Modes of Interaction with the Phycobilisome
J.Biol.Chem., 283, 2008
2YNI
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BU of 2yni by Molmil
HIV-1 Reverse Transcriptase in complex with inhibitor GSK952
Descriptor: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ...
Authors:Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
Deposit date:2012-10-15
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
6FWI
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BU of 6fwi by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine)
Descriptor: (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2018-03-06
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6ZJY
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BU of 6zjy by Molmil
Respiratory complex I from Thermus thermophilus, NAD+ dataset, minor state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ...
Authors:Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A.
Deposit date:2020-06-29
Release date:2020-09-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
5OV7
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BU of 5ov7 by Molmil
tubulin - rigosertib complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Menchon, G, Prota, A.E, Steinmetz, M, Jost, M.
Deposit date:2017-08-28
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Combined CRISPRi/a-Based Chemical Genetic Screens Reveal that Rigosertib Is a Microtubule-Destabilizing Agent.
Mol. Cell, 68, 2017
8OM8
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BU of 8om8 by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure A)
Descriptor: 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, ACETATE ION, CHLORIDE ION, ...
Authors:Paolillo, M, Ferraro, G, Merlino, A.
Deposit date:2023-03-31
Release date:2023-06-07
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs.
Inorg.Chem., 62, 2023
3D3P
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BU of 3d3p by Molmil
Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor
Descriptor: 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, ARSENIC, MAGNESIUM ION, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2008-05-12
Release date:2009-05-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
5HTR
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BU of 5htr by Molmil
Putative sugar kinases from Arabidopsis thaliana in apo form
Descriptor: Putative xylulose kinase
Authors:Xie, Y, Li, M, Chang, W.
Deposit date:2016-01-27
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
7RED
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BU of 7red by Molmil
Holo Hemophilin from A. baumannii
Descriptor: Hemophilin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bateman, T.J, Shah, M, Moraes, T.F.
Deposit date:2021-07-12
Release date:2021-11-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:A Slam-dependent hemophore contributes to heme acquisition in the bacterial pathogen Acinetobacter baumannii.
Nat Commun, 12, 2021
8OMS
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BU of 8oms by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure B)
Descriptor: Lysozyme C, bis-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(IV)O2
Authors:Paolillo, M, Ferraro, G, Merlino, A.
Deposit date:2023-03-31
Release date:2023-06-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs.
Inorg.Chem., 62, 2023
4JMW
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BU of 4jmw by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Phenol
Descriptor: Cytochrome c peroxidase, PHENOL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fish, I.
Deposit date:2013-03-14
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
5HUX
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BU of 5hux by Molmil
Putative sugar kinases from Synechococcus elongatus PCC7942 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Probable sugar kinase
Authors:Xie, Y, Li, M, Chang, W.
Deposit date:2016-01-27
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
3TJQ
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BU of 3tjq by Molmil
N-domain of HtrA1
Descriptor: CHLORIDE ION, GLYCEROL, PLATINUM (II) ION, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2011-08-24
Release date:2012-05-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural and Functional Analysis of HtrA1 and Its Subdomains.
Structure, 20, 2012
3TTC
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BU of 3ttc by Molmil
Crystal structure of E. coli HypF with ADP and carbamoyl phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-14
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
5HV0
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BU of 5hv0 by Molmil
Structural Analysis of Cofactor Binding of a Prolyl 4-Hydroxylase from the Pathogenic Bacterium Bacillus anthracis
Descriptor: 2-OXOGLUTARIC ACID, CADMIUM ION, GLYCEROL, ...
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-01-28
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural analysis of cofactor binding for a prolyl 4-hydroxylase from the pathogenic bacterium Bacillus anthracis.
Acta Crystallogr D Struct Biol, 72, 2016
5L5O
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BU of 5l5o by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 16
Descriptor: (2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2016-05-28
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016

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