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3C6N
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Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
Descriptor: (2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
Authors:Tan, X, Zheng, N, Hayashi, K.
Deposit date:2008-02-04
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C6P
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BU of 3c6p by Molmil
Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
Descriptor: (2S)-2-(1H-indol-3-yl)pentanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
Authors:Tan, X.
Deposit date:2008-02-04
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2F01
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Epi-biotin complex with core streptavidin
Descriptor: BIOTIN, EPI-BIOTIN, GLYCEROL, ...
Authors:Le Trong, I, Aubert, D.G, Thomas, N.R, Stenkamp, R.E.
Deposit date:2005-11-10
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The high-resolution structure of (+)-epi-biotin bound to streptavidin.
Acta Crystallogr.,Sect.D, 62, 2006
2Q6N
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Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole
Descriptor: 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R.
Deposit date:2007-06-05
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.
Biochemistry, 46, 2007
2Q63
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BU of 2q63 by Molmil
HIV-1 PR mutant in complex with nelfinavir
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
Authors:Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
Deposit date:2007-06-04
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants
J.Mol.Biol., 374, 2007
5I56
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Agonist-bound GluN1/GluN2A agonist binding domains with TCN201
Descriptor: GLUTAMIC ACID, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Mou, T.-C, Sprang, S.R, Hansen, K.B.
Deposit date:2016-02-14
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
8USX
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Glycine-bound GluN1a-3A NMDA receptor
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 3A
Authors:Michalski, K, Furukawa, H.
Deposit date:2023-10-30
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure and function of GluN1-3A NMDA receptor excitatory glycine receptor channel.
Sci Adv, 10, 2024
9DR1
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E. coli RNA polymerase consensus volume with a bound fluoride riboswitch in the ligand-bound state
Descriptor: DNA (30-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Porta, J.C, Ellinger, E, Liu, Y, Walter, N.G.
Deposit date:2024-09-24
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of RNA-mediated regulation of transcriptional pausing.
To Be Published
8UUE
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Glycine-bound GluN1a-3A LBD heterotetramer (local refinement)
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 3A
Authors:Michalski, K, Furukawa, H.
Deposit date:2023-11-01
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structure and function of GluN1-3A NMDA receptor excitatory glycine receptor channel.
Sci Adv, 10, 2024
8TYO
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Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Bruch, E.M, Rak, A.
Deposit date:2023-08-25
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2.
Sci Rep, 14, 2024
6DWV
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Crystal structure of the LigJ Hydratase in the Apo state
Descriptor: 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2018-06-28
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
8TYL
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Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Bruch, E.M, Rak, A.
Deposit date:2023-08-25
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2.
Sci Rep, 14, 2024
5DZ2
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BU of 5dz2 by Molmil
Geosmin synthase from Streptomyces coelicolor N-terminal domain complexed with three Mg2+ ions and alendronic acid
Descriptor: ALENDRONATE, Germacradienol/geosmin synthase, MAGNESIUM ION
Authors:Harris, G.G, Lombardi, P.M, Pemberton, T.A, Matsui, T, Weiss, T.M, Cole, K.E, Koksal, M, Murphy, F.V, Vedula, L.S, Chou, W.K.W, Cane, D.E, Christianson, D.W.
Deposit date:2015-09-25
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with alpha alpha Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence.
Biochemistry, 54, 2015
5EXK
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BU of 5exk by Molmil
Crystal structure of M. tuberculosis lipoyl synthase with 6-thiooctanoyl peptide intermediate
Descriptor: 5'-DEOXYADENOSINE, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L.
Deposit date:2015-11-23
Release date:2016-08-10
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic snapshots of sulfur insertion by lipoyl synthase.
Proc.Natl.Acad.Sci.USA, 113, 2016
8FZ8
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BU of 8fz8 by Molmil
Structure of cytochrome P450sky2
Descriptor: Cytochrome P450, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE
Authors:Murarka, V.C, Poulos, T.L.
Deposit date:2023-01-27
Release date:2024-02-07
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Biosynthesis of a new skyllamycin in Streptomyces nodosus : a cytochrome P450 forms an epoxide in the cinnamoyl chain.
Org.Biomol.Chem., 22, 2024
2QVV
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BU of 2qvv by Molmil
Porcine Liver Fructose-1,6-bisphosphatase cocrystallized with Fru-2,6-P2 and Zn2+, I(T)-state
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, PHOSPHATE ION, ...
Authors:Hines, J.K, Chen, X, Nix, J.C, Fromm, H.J, Honzatko, R.B.
Deposit date:2007-08-08
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of mammalian and bacterial fructose-1,6-bisphosphatase reveal the basis for synergism in AMP/fructose 2,6-bisphosphate inhibition
J.Biol.Chem., 282, 2007
1I6Q
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BU of 1i6q by Molmil
Formation of a protein intermediate and its trapping by the simultaneous crystallization process: Crystal structure of an iron-saturated intermediate in the FE3+ binding pathway of camel lactoferrin at 2.7 resolution
Descriptor: CARBONATE ION, FE (III) ION, LACTOFERRIN
Authors:Khan, J.A, Kumar, P, Srinivasan, A, Singh, T.P.
Deposit date:2001-03-03
Release date:2001-11-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Protein intermediate trapped by the simultaneous crystallization process. Crystal structure of an iron-saturated intermediate in the Fe3+ binding pathway of camel lactoferrin at 2.7 a resolution.
J.Biol.Chem., 276, 2001
8G76
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BU of 8g76 by Molmil
SARS-CoV-2 spike/Nb5 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-5, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-02-21
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Dual-role epitope on SARS-CoV-2 spike enhances and neutralizes viral entry across different variants.
Plos Pathog., 20, 2024
8G77
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BU of 8g77 by Molmil
SARS-CoV-2 spike/Nb6 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-6, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-02-21
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Dual-role epitope on SARS-CoV-2 spike enhances and neutralizes viral entry across different variants.
Plos Pathog., 20, 2024
8AGA
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BU of 8aga by Molmil
Structure of p-hydroxy benzoic acid ligand bound HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, P-HYDROXYBENZOIC ACID, ...
Authors:Goswami, A, Kannika, B.R, Madan Kumar, S.
Deposit date:2022-07-19
Release date:2023-08-02
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Horizontally acquired HosA transcription factor bound with 4-hydroxy-benzoic acid exhibits unique tug-of-water dynamics
Biorxiv, 2024
8G3H
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BU of 8g3h by Molmil
Structure of cobalamin-dependent methionine synthase (MetH) in a resting state
Descriptor: COBALAMIN, Methionine synthase, ZINC ION
Authors:Watkins, M.B, Ando, N.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Conformational switching and flexibility in cobalamin-dependent methionine synthase studied by small-angle X-ray scattering and cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 120, 2023
8UC0
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BU of 8uc0 by Molmil
Endogenous ligand bound FLVCR1
Descriptor: CHOLESTEROL HEMISUCCINATE, Heme transporter FLVCR1
Authors:Hite, R.K, Son, Y.
Deposit date:2023-09-25
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
7MS5
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BU of 7ms5 by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-(4-(3,4-difluoro-phenyl)-piperidin-1-ylsulfonyl)-phenyl)-4-oxo-butanoic acid
Descriptor: 1,2-ETHANEDIOL, 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid, CALCIUM ION, ...
Authors:Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M, Structural Genomics Consortium (SGC)
Deposit date:2021-05-10
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
7MS6
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Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (2-fluoro-4-((4-phenylpiperidin-1-yl)sulfonyl)benzoyl)glycine
Descriptor: 1,2-ETHANEDIOL, N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine, SULFATE ION, ...
Authors:Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M.
Deposit date:2021-05-10
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
2R85
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Crystal structure of PurP from Pyrococcus furiosus complexed with AMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-10
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008

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