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7E24
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BU of 7e24 by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S.
Deposit date:2021-02-04
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7203 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
7E28
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BU of 7e28 by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium
Descriptor: Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S.
Deposit date:2021-02-05
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
7E3X
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BU of 7e3x by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from exiguobacterium
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S, Zhang, F, Chen, S.
Deposit date:2021-02-09
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
6B3F
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BU of 6b3f by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B38
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BU of 6b38 by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3G
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BU of 6b3g by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
4II4
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BU of 4ii4 by Molmil
The Phenylacetyl-CoA monooxygenase - mutant PaaA E49Q K68Q - PaaC wild type subcomplex with benzoyl-CoA
Descriptor: 1,2-phenylacetyl-CoA epoxidase, subunit A, subunit C, ...
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2012-12-19
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Spatial Organization of Subunits within the Phenylacetyl-CoA Monooxygenase Complex
To be published
4IIT
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BU of 4iit by Molmil
The Phenylacetyl-CoA monooxygenase PaaABC subcomplex with phenylacetyl-CoA
Descriptor: Phenylacetate-CoA oxygenase subunit PaaA, Phenylacetate-CoA oxygenase subunit PaaB, Phenylacetate-CoA oxygenase subunit PaaC, ...
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2012-12-20
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Family of phenylacetyl-CoA monooxygenases differs in subunit organization from other monooxygenases.
J.Struct.Biol., 184, 2013
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
Descriptor: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
6B36
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BU of 6b36 by Molmil
Crystal Structure of HIV Protease complexed with (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide, CHLORIDE ION, HIV-1 Protease
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3C
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BU of 6b3c by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
8S86
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BU of 8s86 by Molmil
human PLD3 homodimer structure
Descriptor: 5'-3' exonuclease PLD3
Authors:Lammens, K.
Deposit date:2024-03-05
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Lysosomal endonuclease RNase T2 and PLD exonucleases cooperatively generate RNA ligands for TLR7 activation.
Immunity, 2024
6B3H
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BU of 6b3h by Molmil
Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
7ESX
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BU of 7esx by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip
Descriptor: Bacteria factor 1
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-05-12
Release date:2021-11-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESY
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BU of 7esy by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip
Descriptor: Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-05-12
Release date:2021-11-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESZ
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BU of 7esz by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip
Descriptor: BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-05-12
Release date:2021-11-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.476 Å)
Cite:Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ET0
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BU of 7et0 by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip
Descriptor: Bacteria factor A, Bacteria factor B
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-05-12
Release date:2021-11-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
6CET
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BU of 6cet by Molmil
Cryo-EM structure of GATOR1
Descriptor: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3
Authors:Shen, K, Huang, R.K, Brignole, E.J, Yu, Z, Sabatini, D.M.
Deposit date:2018-02-12
Release date:2018-03-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Architecture of the human GATOR1 and GATOR1-Rag GTPases complexes.
Nature, 556, 2018
2N2Y
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BU of 2n2y by Molmil
Solution structure of the meiosis-expressed gene 1 (Meig1)
Descriptor: Meiosis-expressed gene 1 protein
Authors:Williams Jr, D.C, Walavalkar, N.M, Buchwald, W.A.
Deposit date:2015-05-16
Release date:2016-01-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dissecting the structural basis of MEIG1 interaction with PACRG.
Sci Rep, 6, 2016
6K9N
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BU of 6k9n by Molmil
Rice_OTUB_like_catalytic domain
Descriptor: Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-17
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
6CQ5
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BU of 6cq5 by Molmil
TBK1 in Complex with Sulfone Analog of Amlexanox
Descriptor: 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
Authors:Beyett, T.S, Tesmer, J.J.G.
Deposit date:2018-03-14
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.354 Å)
Cite:Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
6ILC
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BU of 6ilc by Molmil
CRYSTAL STRUCTURE OF BAT MHC CLASS I PTAL-N*01:01 FOR 2.2 ANGSTROM
Descriptor: Beta-2-microglobulin, HEV-1, MHC class I antigen
Authors:Qu, Z.H, Zhang, N.Z, Xia, C.
Deposit date:2018-10-17
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019

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PDB entries from 2024-07-17

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