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6EIT
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BU of 6eit by Molmil
Coxsackievirus A24v in complex with the D1-D2 fragment of ICAM-1
Descriptor: Intercellular adhesion molecule 1, VP1, VP2, ...
Authors:Hurdiss, D.L, Ranson, N.A.
Deposit date:2017-09-19
Release date:2018-01-10
Last modified:2018-01-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Role of enhanced receptor engagement in the evolution of a pandemic acute hemorrhagic conjunctivitis virus.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5X9B
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BU of 5x9b by Molmil
Crystal structure of the cytosolic domain of human MiD51
Descriptor: Mitochondrial dynamics protein MID51
Authors:Sun, F, Pang, X, Ma, J.
Deposit date:2017-03-06
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:New interfaces on MiD51 for Drp1 recruitment and regulation.
Plos One, 14, 2019
5XWH
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BU of 5xwh by Molmil
Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH
Descriptor: FrnE protein
Authors:Bihani, S.C, Panicker, L, Kumar, V.
Deposit date:2017-06-29
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH
To Be Published
3E4Q
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BU of 3e4q by Molmil
Crystal structure of apo DctB
Descriptor: C4-dicarboxylate transport sensor protein dctB, CALCIUM ION
Authors:Zhou, Y.F, Nan, J, Nan, B.Y, Liang, Y.H, Panjikar, S, Su, X.D.
Deposit date:2008-08-12
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:C4-dicarboxylates sensing mechanism revealed by the crystal structures of DctB sensor domain.
J.Mol.Biol., 383, 2008
2DJY
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BU of 2djy by Molmil
Solution structure of Smurf2 WW3 domain-Smad7 PY peptide complex
Descriptor: Mothers against decapentaplegic homolog 7, Smad ubiquitination regulatory factor 2
Authors:Chong, P.A, Lin, H, Wrana, J.L, Forman-Kay, J.D.
Deposit date:2006-04-06
Release date:2006-05-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:An Expanded WW Domain Recognition Motif Revealed by the Interaction between Smad7 and the E3 Ubiquitin Ligase Smurf2.
J.Biol.Chem., 281, 2006
1WQ4
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BU of 1wq4 by Molmil
Escherichia coli tyrosyl-tRNA synthetase mutant complexed with L-tyrosine
Descriptor: TYROSINE, Tyrosyl-tRNA synthetase
Authors:Kobayashi, T, Sakamoto, K, Nureki, O, Takimura, T, Kamata, K, Sekine, R, Nishimura, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-09-20
Release date:2005-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of nonnatural amino acid recognition by an engineered aminoacyl-tRNA synthetase for genetic code expansion
Proc.Natl.Acad.Sci.USA, 102, 2005
2WRH
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BU of 2wrh by Molmil
structure of H1 duck albert hemagglutinin with human receptor
Descriptor: HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN, N-acetyl-alpha-neuraminic acid
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-09-01
Release date:2009-09-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957
Proc.Natl.Acad.Sci.USA, 106, 2009
2X2B
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BU of 2x2b by Molmil
Crystal structure of malonyl-ACP (acyl carrier protein) from Bacillus subtilis
Descriptor: 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, ACYL CARRIER PROTEIN, PLATINUM (II) ION
Authors:Bellinzoni, M, Martinez, M.A, DeMendoza, D, Alzari, P.M.
Deposit date:2010-01-12
Release date:2010-03-16
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A Novel Role of Malonyl-Acp in Lipid Homeostasis.
Biochemistry, 49, 2010
1SBG
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BU of 1sbg by Molmil
AN ORALLY-BIOAVAILABLE HIV-1 PROTEASE INHIBITOR CONTAINING AN IMIDAZOLE-DERIVED PEPTIDE BOND REPLACEMENT. CRYSTALLOGRAPHIC AND PHARMACOKINETIC ANALYSIS
Descriptor: (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE
Authors:Abdel-Meguid, S, Zhao, B.
Deposit date:1994-05-24
Release date:1994-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An orally bioavailable HIV-1 protease inhibitor containing an imidazole-derived peptide bond replacement: crystallographic and pharmacokinetic analysis.
Biochemistry, 33, 1994
2WR3
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BU of 2wr3 by Molmil
structure of influenza H2 duck Ontario hemagglutinin with avian receptor
Descriptor: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-08-29
Release date:2009-09-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
8FFF
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BU of 8fff by Molmil
Crystal structure of Staphylococcus aureus D-alanine D-alanine ligase enzyme in complex with acetate
Descriptor: ACETATE ION, D-alanine--D-alanine ligase
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-12-08
Release date:2024-05-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Staphylococcus aureus counters organic acid anion-mediated inhibition of peptidoglycan cross-linking through robust alanine racemase activity.
Biorxiv, 2024
2WRG
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BU of 2wrg by Molmil
structure of H1 1918 hemagglutinin with human receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN, ...
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-09-01
Release date:2009-09-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2C5O
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BU of 2c5o by Molmil
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Descriptor: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2005-10-30
Release date:2006-03-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2WR1
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BU of 2wr1 by Molmil
structure of influenza H2 hemagglutinin with human receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ...
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-08-29
Release date:2009-09-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2C6E
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BU of 2c6e by Molmil
Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor
Descriptor: N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2WRC
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BU of 2wrc by Molmil
the structure of influenza H2 human singapore hemagglutinin
Descriptor: HEMAGGLUTININ
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-09-01
Release date:2009-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
5XYZ
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BU of 5xyz by Molmil
The structure of human BTK kinase domain in complex with a covalent inhibitor
Descriptor: N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
3EGN
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BU of 3egn by Molmil
C-terminal RNA Recognition Motif of the U11/U12 65K Protein
Descriptor: RNA-binding protein 40
Authors:Netter, C, Wahl, M.C.
Deposit date:2008-09-11
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional stabilization of an RNA recognition motif by a noncanonical N-terminal expansion
Rna, 15, 2009
7AH0
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BU of 7ah0 by Molmil
Crystal structure of the de novo designed two-heme binding protein, 4D2
Descriptor: 4D2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hutchins, G.H, Parnell, A.E, Anderson, J.L.R.
Deposit date:2020-09-23
Release date:2021-10-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An expandable, modular de novo protein platform for precision redox engineering.
Proc.Natl.Acad.Sci.USA, 120, 2023
7AJ6
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BU of 7aj6 by Molmil
LN02 Fab
Descriptor: LN02, LN02 heavy chain
Authors:Caillat, C, Fenwick, G, Pantaleo, G, Weissenhorn, W.
Deposit date:2020-09-28
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:LN02 Fab
To Be Published
2BPR
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BU of 2bpr by Molmil
NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, 25 STRUCTURES
Descriptor: DNAK
Authors:Wang, H, Kurochkin, A.V, Pang, Y, Hu, W, Flynn, G.C, Zuiderweg, E.R.P.
Deposit date:1998-08-11
Release date:1999-03-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure of the 21 kDa chaperone protein DnaK substrate binding domain: a preview of chaperone-protein interaction.
Biochemistry, 37, 1998
1J1U
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BU of 1j1u by Molmil
Crystal structure of archaeal tyrosyl-tRNA synthetase complexed with tRNA(Tyr) and L-tyrosine
Descriptor: MAGNESIUM ION, TYROSINE, Tyrosyl-tRNA synthetase, ...
Authors:Kobayashi, T, Nureki, O, Ishitani, R, Tukalo, M, Cusack, S, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-12-17
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for orthogonal tRNA specificities of tyrosyl-tRNA synthetases for genetic code expansion
NAT.STRUCT.BIOL., 10, 2003
5MCS
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BU of 5mcs by Molmil
Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens
Descriptor: HEME C, Lipoprotein cytochrome c, 1 heme-binding site
Authors:Dantas, J.M, Silva, M.A, Morgado, L, Pantoja-Uceda, D, Turner, D.L, Bruix, M, Salgueiro, C.A.
Deposit date:2016-11-10
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens.
Biochim. Biophys. Acta, 1858, 2017
5QD2
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BU of 5qd2 by Molmil
Crystal structure of BACE complex with BMC017
Descriptor: (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
3EQ1
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BU of 3eq1 by Molmil
The Crystal Structure of Human Porphobilinogen Deaminase at 2.8A resolution
Descriptor: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase, SULFATE ION
Authors:Kolstoe, S.E, Gill, R, Mohammed, F, Wood, S.P.
Deposit date:2008-09-30
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human porphobilinogen deaminase at 2.8 A: the molecular basis of acute intermittent porphyria
Biochem.J., 420, 2009

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