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8KBL
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BU of 8kbl by Molmil
Structure of AcrIIA7 complexed with 1',3'-cADPR and cGG
Descriptor: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Inhibitor of Type II CRISPR-Cas system
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-08-04
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of AcrIIA7 complexed with 1',3'-cADPR and cGG
To Be Published
5CDF
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BU of 5cdf by Molmil
Structure at 2.3 A of the alpha/beta monomer of the F-ATPase from Paracoccus denitrificans
Descriptor: ATP synthase subunit alpha, ATP synthase subunit beta, GLYCEROL, ...
Authors:Morales-Rios, E, Montgomery, M.G, Leslie, A.G.W, Garcia-Trejo, J.J, Walker, J.E.
Deposit date:2015-07-03
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a catalytic dimer of the alpha- and beta-subunits of the F-ATPase from Paracoccus denitrificans at 2.3 angstrom resolution.
Acta Crystallogr.,Sect.F, 71, 2015
5CDQ
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BU of 5cdq by Molmil
2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5TQN
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BU of 5tqn by Molmil
Lipoxygenase-1 (soybean) L546A mutant at 293K
Descriptor: FE (II) ION, Seed linoleate 13S-lipoxygenase-1
Authors:Poss, E.M, Fraser, J.S, Gee, C.
Deposit date:2016-10-24
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
8KBD
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BU of 8kbd by Molmil
Structure of CmTad1 complexed with cAAG
Descriptor: Thoeris anti-defense 1, ZINC ION, cAAG
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-08-04
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of CmTad1 complexed with cAAG
To Be Published
8KC0
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BU of 8kc0 by Molmil
De novo design protein -NB8
Descriptor: De novo design protein -NB8
Authors:Wang, S, Liu, Y.
Deposit date:2023-08-05
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design protein -NB8
To Be Published
7P8O
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BU of 7p8o by Molmil
Crystal structure of D-aminoacid transaminase from Haliscomenobacter hydrossis in its intermediate form
Descriptor: Aminotransferase class IV, MAGNESIUM ION, SULFATE ION
Authors:Matyuta, I.O, Boyko, K.M, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O.
Deposit date:2021-07-23
Release date:2022-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Incorporation of pyridoxal-5'-phosphate into the apoenzyme: A structural study of D-amino acid transaminase from Haliscomenobacter hydrossis.
Biochim Biophys Acta Proteins Proteom, 1873, 2024
5CEF
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BU of 5cef by Molmil
Cystal structure of aspartate semialdehyde dehydrogenase from Cryptococcus neoformans
Descriptor: 1,2-ETHANEDIOL, Aspartate-semialdehyde dehydrogenase
Authors:Dahal, G.P, Viola, R.E.
Deposit date:2015-07-06
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a fungal form of aspartate semialdehyde dehydrogenase from Cryptococcus neoformans.
Acta Crystallogr.,Sect.F, 71, 2015
5U5K
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BU of 5u5k by Molmil
Crystal structure of EED in complex with 3-(3-methoxybenzyl)piperidine hydrochloride
Descriptor: (3R)-3-[(3-methoxyphenyl)methyl]piperidine, FORMIC ACID, Polycomb protein EED
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
8KBJ
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BU of 8kbj by Molmil
Structure of HgmTad2 complexed with 1',2'-cADPR
Descriptor: (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Inhibitor of Type II CRISPR-Cas system
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-08-04
Release date:2024-08-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of HgmTad2 complexed with 1',2'-cADPR
To Be Published
8KBG
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BU of 8kbg by Molmil
Structure of CbTad1 complexed with 2',3'-cGAMP
Descriptor: Thoeris anti-defense 1, cGAMP
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-08-04
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of CbTad1 complexed with 2',3'-cGAMP
To Be Published
7P8J
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BU of 7p8j by Molmil
Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (6.585 Å)
Cite:Constrained Evolution of SARS-CoV-2 Spike in Rhinolophus affinis Bats
To Be Published
8KBC
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BU of 8kbc by Molmil
Structure of CmTad1 complexed with cAAA
Descriptor: (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE, Thoeris anti-defense 1, ZINC ION
Authors:Xiao, Y, Feng, Y.
Deposit date:2023-08-04
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of CmTad1 complexed with cAAA
To Be Published
8V3K
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BU of 8v3k by Molmil
F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: DIPHOSPHATE, Epi-isozizaene synthase, GLYCEROL, ...
Authors:Christianson, D.W, Eaton, S.A.
Deposit date:2023-11-28
Release date:2024-01-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi -Isozizaene Synthase into alpha-Bisabolol Synthase.
Biochemistry, 63, 2024
5H2V
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BU of 5h2v by Molmil
Crystal structure of the karyopherin Kap121p bound to the SUMO protease Ulp1p
Descriptor: Importin subunit beta-3, Ubiquitin-like-specific protease 1
Authors:Kobayashi, J, Matsuura, Y.
Deposit date:2016-10-18
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the Karyopherins Kap121p and Kap60p Bound to the Nuclear Pore-Targeting Domain of the SUMO Protease Ulp1p
J. Mol. Biol., 429, 2017
8KFI
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BU of 8kfi by Molmil
Crystal structure of sperm whale myoglobin (F43A/H64I mutant) reconstituted with manganese porphycene
Descriptor: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published
6MRY
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BU of 6mry by Molmil
NoD173 plant defensin
Descriptor: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, ...
Authors:Caria, S, Kvansakul, M.
Deposit date:2018-10-15
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional characterization of the membrane-permeabilizing activity ofNicotiana occidentalisdefensin NoD173 and protein engineering to enhance oncolysis.
Faseb J., 33, 2019
6MXR
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BU of 6mxr by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Shi, R.
Deposit date:2018-10-31
Release date:2019-07-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
8SBM
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BU of 8sbm by Molmil
Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS
Descriptor: 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ...
Authors:Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A.
Deposit date:2023-04-03
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid.
Biochemistry, 62, 2023
7P8I
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BU of 7p8i by Molmil
Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Evidence of SARS-CoV-2 Direct Evolution in R. affinis Bats Driven by Affinity and Dynamics Optimization of the Spike Protein
To Be Published
8SBS
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BU of 8sbs by Molmil
Fumarate C - R126A in (3-(N-morpholino)propanesulfonic acid) at pH 7.5
Descriptor: Fumarate hydratase class II
Authors:Weaver, T.M, May, J, Bhattacharyya, B.
Deposit date:2023-04-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fumarate C - R126A in (3-(N-morpholino)propanesulfonic acid) at pH 7.5
To Be Published
5CFO
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BU of 5cfo by Molmil
Crystal structure of anemone STING (Nematostella vectensis) in apo 'rotated' open conformation
Descriptor: Stimulator of Interferon Genes
Authors:Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
5H4G
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BU of 5h4g by Molmil
Structure of PIN-domain protein (VapC4 toxin) from Pyrococcus horikoshii determined at 1.77 A resolution
Descriptor: Ribonuclease VapC4, ZINC ION
Authors:Biswas, A, Hatti, K, Srinivasan, N, Murthy, M.R.N, Sekar, K.
Deposit date:2016-10-31
Release date:2016-11-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure determination of contaminant proteins using the MarathonMR procedure
J. Struct. Biol., 197, 2017
7P9W
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BU of 7p9w by Molmil
Epstein-Barr virus encoded apoptosis regulator BHRF1 in complex with Puma BH3
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, AMMONIUM ION, ...
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2021-07-28
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.00010061 Å)
Cite:Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides.
Viruses, 14, 2022
8KFQ
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BU of 8kfq by Molmil
The crystal structure of EGFR(T797M/L858R) with small molecule inhibitor B6
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
Authors:Wu, C, Ouyang, L.
Deposit date:2023-08-16
Release date:2024-08-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structure of EGFR(T979M/L858R) with small molecule inhibitor B6
To Be Published

226707

數據於2024-10-30公開中

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