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7M3H
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BU of 7m3h by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid, CALCIUM ION, Hydroxymethylglutaryl-CoA reductase, ...
Authors:Bose, S, Steussy, C.N, Stauffacher, C.V.
Deposit date:2021-03-18
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
To Be Published
1EOC
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BU of 1eoc by Molmil
CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE IN COMPLEX WITH 4-NITROCATECHOL
Descriptor: 4-NITROCATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
Authors:Vetting, M.W, D'Argenio, D.A, Ornston, L.N, Ohlendorf, D.H.
Deposit date:2000-03-22
Release date:2000-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Acinetobacter strain ADP1 protocatechuate 3, 4-dioxygenase at 2.2 A resolution: implications for the mechanism of an intradiol dioxygenase.
Biochemistry, 39, 2000
7M66
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BU of 7m66 by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Bose, S, Steussy, C.N.
Deposit date:2021-03-25
Release date:2022-09-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor.
Commun Biol, 6, 2023
8K6C
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BU of 8k6c by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K68
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BU of 8k68 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6D
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BU of 8k6d by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04
Descriptor: 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
4WVZ
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BU of 4wvz by Molmil
Crystal structure of artificial crosslinked thiol dioxygenase G95C variant from Pseudomonas aeruginosa
Descriptor: 3-mercaptopropionate dioxygenase, FE (II) ION
Authors:Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
Deposit date:2014-11-09
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Substrate and pH-Dependent Kinetic Profile of 3-Mercaptopropionate Dioxygenase from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
4X54
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BU of 4x54 by Molmil
Crystal structure of an oxidoreductase (short chain dehydrogenase/reductase) from Brucella ovis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Oxidoreductase, short chain dehydrogenase/reductase family
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-04
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of an oxidoreductase/ short chain dehydrogenase from Brucella ovis
To Be Published
1J49
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BU of 1j49 by Molmil
INSIGHTS INTO DOMAIN CLOSURE, SUBSTRATE SPECIFICITY AND CATALYSIS OF D-LACTATE DEHYDROGENASE FROM LACTOBACILLUS BULGARICUS
Descriptor: D-LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Razeto, A, Kochhar, S, Hottinger, H, Dauter, M, Wilson, K.S, Lamzin, V.S.
Deposit date:2001-08-14
Release date:2002-05-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Domain closure, substrate specificity and catalysis of D-lactate dehydrogenase from Lactobacillus bulgaricus.
J.Mol.Biol., 318, 2002
8KG5
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BU of 8kg5 by Molmil
Prefusion RSV F Bound to Lonafarnib and D25 Fab
Descriptor: 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ...
Authors:Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X.
Deposit date:2023-08-17
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein.
Signal Transduct Target Ther, 9, 2024
4X8B
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BU of 4x8b by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo form
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4WKT
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BU of 4wkt by Molmil
n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ
Descriptor: 1-BUTANE BORONIC ACID, Acyl-homoserine lactone acylase PvdQ, GLYCEROL
Authors:Wu, R, Clevenger, K.D, Fast, W, Liu, D.
Deposit date:2014-10-03
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ.
Biochemistry, 53, 2014
4WLU
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BU of 4wlu by Molmil
Crystal structure of L-malate and NAD bound MDH2
Descriptor: (2S)-2-hydroxybutanedioic acid, Malate dehydrogenase, mitochondrial, ...
Authors:Eo, Y.M, Han, B.G, Ahn, H.C.
Deposit date:2014-10-08
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of L-malate and NAD bound MDH2
To Be Published
8SVR
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BU of 8svr by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326
Descriptor: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVX
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BU of 8svx by Molmil
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331
Descriptor: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
7MXQ
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BU of 7mxq by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (r-1)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
4WLO
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BU of 4wlo by Molmil
Crystal structure of oxaloacetate and NADH bound MDH2
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Malate dehydrogenase, mitochondrial, ...
Authors:Eo, Y.M, Han, B.G, Ahn, H.C.
Deposit date:2014-10-07
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of oxaloacetate and NADH bound MDH2
To Be Published
8SVS
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BU of 8svs by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328
Descriptor: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
4WM5
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BU of 4wm5 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 890 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
8SVQ
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BU of 8svq by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312
Descriptor: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
7NAY
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BU of 7nay by Molmil
Crystal structure of lactate dehydrogenase from Selenomonas ruminantium with NADH.
Descriptor: 1,2-ETHANEDIOL, BORIC ACID, L-lactate dehydrogenase, ...
Authors:Bertrand, Q, Robin, A, Girard, E, Madern, D.
Deposit date:2021-01-25
Release date:2021-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
J.Struct.Biol., 215, 2023
8SVP
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BU of 8svp by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278
Descriptor: (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024

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