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PDB: 53012 results

7S4B
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Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724963
Descriptor: (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-08
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
7RY9
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S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ...
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
7S3S
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Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724813
Descriptor: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-08
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
6UO3
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with AR-42
Descriptor: 1,2-ETHANEDIOL, AR-42, HDAC6, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-10-14
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.09000123 Å)
Cite:Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
7S3K
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BU of 7s3k by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530718726
Descriptor: 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-07
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
8T1D
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Open-state cryo-EM structure of full-length human TRPV4 in complex with agonist 4a-PDD
Descriptor: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera
Authors:Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
7RYB
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BU of 7ryb by Molmil
S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
4X62
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Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
Deposit date:2014-12-06
Release date:2015-11-18
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.4492 Å)
Cite:N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
4X65
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BU of 4x65 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
Deposit date:2014-12-06
Release date:2015-11-18
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.345 Å)
Cite:N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
8T1F
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BU of 8t1f by Molmil
Cryo-EM structure of full-length human TRPV4 in complex with antagonist HC-067047
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera
Authors:Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
7S3W
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Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose
Descriptor: (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
6M3L
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BU of 6m3l by Molmil
Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(nonspecific) complex
Descriptor: DNA (5'-D(*CP*GP*CP*AP*TP*CP*GP*AP*TP*TP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*GP*CP*G)-3'), RE_R_Pab1 domain-containing protein
Authors:Miyazono, K, Wang, D, Ito, T, Tanokura, M.
Deposit date:2020-03-04
Release date:2020-03-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Distortion of double-stranded DNA structure by the binding of the restriction DNA glycosylase R.PabI.
Nucleic Acids Res., 48, 2020
7S3U
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BU of 7s3u by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
7S43
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Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
7S44
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BU of 7s44 by Molmil
Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose
Descriptor: (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
6M4U
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BU of 6m4u by Molmil
Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin
Descriptor: CHLORIDE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
7S41
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BU of 7s41 by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-glucose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
8SLU
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BU of 8slu by Molmil
Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa)
Descriptor: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
Authors:Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
Deposit date:2023-04-24
Release date:2023-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
8SLT
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BU of 8slt by Molmil
Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa)
Descriptor: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
Authors:Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
Deposit date:2023-04-24
Release date:2023-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
6ZW4
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C14 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Descriptor: vipp1
Authors:Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
6ZW5
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C15 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Descriptor: vipp1
Authors:Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
4XB6
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BU of 4xb6 by Molmil
Structure of the E. coli C-P lyase core complex
Descriptor: Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ...
Authors:Brodersen, D.E.
Deposit date:2014-12-16
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the bacterial carbon-phosphorus lyase machinery.
Nature, 525, 2015
8SLS
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BU of 8sls by Molmil
Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa)
Descriptor: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
Authors:Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
Deposit date:2023-04-24
Release date:2023-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
5L6M
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BU of 5l6m by Molmil
Structure of Caulobacter crescentus VapBC1 (VapB1deltaC:VapC1 form)
Descriptor: GLYCEROL, MALONATE ION, Ribonuclease VapC, ...
Authors:Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E.
Deposit date:2016-05-30
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding.
Nucleic Acids Res., 45, 2017
6OFV
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F95Q Epi-isozizaene synthase
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Blank, P.N, Christianson, D.W.
Deposit date:2019-04-01
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of F95Q epi-isozizaene synthase, an engineered sesquiterpene cyclase that generates biofuel precursors beta- and gamma-curcumene.
J.Struct.Biol., 207, 2019

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