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PDB: 89472 results

5KVW
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BU of 5kvw by Molmil
T. danielli thaumatin at 100K, Data set 1
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-15
Release date:2016-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5DPJ
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BU of 5dpj by Molmil
sfGFP double mutant - 133/149 p-ethynyl-L-phenylalanine
Descriptor: Green fluorescent protein
Authors:Dippel, A.B, Olenginski, G.M, Maurici, N, Liskov, M.T, Brewer, S.H, Phillips-Piro, C.M.
Deposit date:2015-09-12
Release date:2016-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Probing the effectiveness of spectroscopic reporter unnatural amino acids: a structural study.
Acta Crystallogr D Struct Biol, 72, 2016
6EN3
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BU of 6en3 by Molmil
Crystal structure of full length EndoS from Streptococcus pyogenes in complex with G2 oligosaccharide.
Descriptor: CALCIUM ION, Endo-beta-N-acetylglucosaminidase F2,Multifunctional-autoprocessing repeats-in-toxin, NICKEL (II) ION, ...
Authors:Trastoy, B, Klontz, E.H, Orwenyo, J, Marina, A, Wang, L.X, Sundberg, E.J, Guerin, M.E.
Deposit date:2017-10-04
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structural basis for the recognition of complex-type N-glycans by Endoglycosidase S.
Nat Commun, 9, 2018
5KWF
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BU of 5kwf by Molmil
Joint X-ray Neutron Structure of Cholesterol Oxidase
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Golden, E, Vrielink, A, Meilleur, F, Blakeley, M.
Deposit date:2016-07-18
Release date:2017-02-01
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (1.499 Å), X-RAY DIFFRACTION
Cite:An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase.
Sci Rep, 7, 2017
5XC7
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BU of 5xc7 by Molmil
Dengue Virus 4 NS3 Helicase D290A mutant
Descriptor: CHLORIDE ION, GLYCEROL, NS3 Helicase
Authors:Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
Deposit date:2017-03-22
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017
7BF6
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BU of 7bf6 by Molmil
Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite GS-441524
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3
Authors:Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
6NBU
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BU of 6nbu by Molmil
CRISPR Complex Subunit Csm2 from Staphylococcus epidermidis RP62a
Descriptor: CRISPR-associated protein
Authors:Dorsey, B.W, Huang, L, Mondragon, A.
Deposit date:2018-12-10
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural organization of a Type III-A CRISPR effector subcomplex determined by X-ray crystallography and cryo-EM.
Nucleic Acids Res., 47, 2019
1JM4
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BU of 1jm4 by Molmil
NMR Structure of P/CAF Bromodomain in Complex with HIV-1 Tat Peptide
Descriptor: HIV-1 Tat Peptide, P300/CBP-associated Factor
Authors:Mujtaba, S, He, Y, Zeng, L, Farooq, A, Carlson, J.E, Ott, M, Verdin, E, Zhou, M.-M.
Deposit date:2001-07-17
Release date:2002-07-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural basis of lysine-acetylated HIV-1 Tat recognition by PCAF bromodomain
Mol.Cell, 9, 2002
7K6M
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BU of 7k6m by Molmil
Crystal structure of PI3Kalpha selective Inhibitor PF-06843195
Descriptor: 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
Deposit date:2020-09-21
Release date:2021-01-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
8RI9
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BU of 8ri9 by Molmil
Late alpha-Synuclein fibril structure from liquid-liquid phase separations.
Descriptor: Alpha-synuclein
Authors:De Simone, A, Barritt, J.D, Chen, S, Cascella, R, Cecchi, C, Bigi, A, Jarvis, J.A, Chiti, F, Dobson, C.M, Fusco, G.
Deposit date:2023-12-18
Release date:2024-03-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-Toxicity Relationship in Intermediate Fibrils from alpha-Synuclein Condensates.
J.Am.Chem.Soc., 146, 2024
8OO0
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BU of 8oo0 by Molmil
Chaetomium thermophilum Methionine Aminopeptidase 2 autoproteolysis product at the 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S0, ...
Authors:Klein, M.A, Wild, K, Kisonaite, M, Sinning, I.
Deposit date:2023-04-04
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome.
Nat Commun, 15, 2024
5UPM
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BU of 5upm by Molmil
Crystal structure of BhGH81 mutant in complex with laminaro-triose
Descriptor: 1,2-ETHANEDIOL, BH0236 protein, PHOSPHATE ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2017-02-03
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The quaternary structure of beta-1,3-glucan contributes to its recognition and hydrolysis by a multimodular family 81 glycoside hydrolase
Structure, 2017
1RE6
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BU of 1re6 by Molmil
Localisation of Dynein Light Chains 1 and 2 and their Pro-apoptotic Ligands
Descriptor: dynein light chain 2
Authors:Day, C.L, Puthalakath, H, Skea, G, Strasser, A, Barsukov, I, Lian, L.Y, Huang, D.C, Hinds, M.G.
Deposit date:2003-11-06
Release date:2004-03-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Localization of dynein light chains 1 and 2 and their pro-apoptotic ligands.
Biochem.J., 377, 2004
4JHA
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BU of 4jha by Molmil
Crystal Structure of RSV-Neutralizing Human Antibody D25
Descriptor: D25 antigen-binding fragment heavy chain, D25 light chain
Authors:Mclellan, J.S, Chen, M, Leung, S, Graepel, K.W, Du, X, Yang, Y, Zhou, T, Baxa, U, Yasuda, E, Beaumont, T, Kumar, A, Modjarrad, K, Zheng, Z, Zhao, M, Xia, N, Kwong, P.D, Graham, B.S.
Deposit date:2013-03-04
Release date:2013-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of RSV fusion glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Science, 340, 2013
8VQ4
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BU of 8vq4 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Descriptor: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 2024
6W34
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BU of 6w34 by Molmil
Crystal Structure of Class A Beta-lactamase from Bacillus cereus
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-08
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of Class A Beta-lactamase from Bacillus cereus
To Be Published
7BS2
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BU of 7bs2 by Molmil
Bovine Pancreatic Trypsin with serotonin (Room Temperature)
Descriptor: CALCIUM ION, Cationic trypsin, SEROTONIN, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
2XV6
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BU of 2xv6 by Molmil
Crystal structure of the HIV-1 capsid protein C-terminal domain (146- 220) in complex with a camelid VHH.
Descriptor: CAMELID VHH 9, CAPSID PROTEIN P24
Authors:Igonet, S, Vaney, M.C, Bartonova, V, Helma, J, Rothbauer, U, Leonhardt, H, Stura, E, Krausslich, H.-G, Rey, F.A.
Deposit date:2010-10-22
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Targeting HIV-1 Virion Formation with Nanobodies -Implications for the Design of Assembly Inhibitors
To be Published
8WAG
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BU of 8wag by Molmil
Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1
Descriptor: Protein CHUP1, chloroplastic
Authors:Shimada, A, Nakamura, Y, Takano, A, Kohda, D.
Deposit date:2023-09-07
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
5QJK
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BU of 5qjk by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z373221060
Descriptor: 1,2-ETHANEDIOL, 6-(azetidin-1-yl)-9H-purine, ADP-sugar pyrophosphatase, ...
Authors:Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
Deposit date:2018-10-31
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5KXM
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BU of 5kxm by Molmil
Hen Egg White Lysozyme at 100K, Data set 3
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-20
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5QJZ
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BU of 5qjz by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1696822287
Descriptor: (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine, 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, ...
Authors:Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
Deposit date:2018-10-31
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
3I2B
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BU of 3i2b by Molmil
The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase
Descriptor: 1,2-ETHANEDIOL, 6-pyruvoyl tetrahydrobiopterin synthase, DI(HYDROXYETHYL)ETHER, ...
Authors:Ugochukwu, E, Cocking, R, Pilka, E, Yue, W.W, Bray, J.E, Chaikuad, A, Krojer, T, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-06-29
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase
To be Published
6W3Y
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BU of 6w3y by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-alanine
Descriptor: ALANINE, CHLORIDE ION, GLYCEROL, ...
Authors:Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
Deposit date:2020-03-09
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
5FAX
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BU of 5fax by Molmil
Structure of subtilase SubHal from Bacillus halmapalus
Descriptor: CALCIUM ION, Subtilase SubHal from Bacillus halmapalus
Authors:Dohnalek, J, Brzozowski, A.M, Svendsen, A, Wilson, K.S.
Deposit date:2015-12-12
Release date:2016-05-18
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family
Book, 2016

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