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8JIR
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BU of 8jir by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist SAR425899-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
Descriptor: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
1CVD
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BU of 1cvd by Molmil
STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Ippolito, J.A, Christianson, D.W.
Deposit date:1994-06-21
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural consequences of redesigning a protein-zinc binding site.
Biochemistry, 33, 1994
5J5F
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BU of 5j5f by Molmil
X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Kaczanowska, K, Camacho Hernandez, G.A, Harel, M, Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
3J92
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BU of 3j92 by Molmil
Structure and assembly pathway of the ribosome quality control complex
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Shao, S, Brown, A, Santhanam, B, Hegde, R.S.
Deposit date:2014-12-02
Release date:2015-01-21
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and Assembly Pathway of the Ribosome Quality Control Complex.
Mol.Cell, 57, 2015
5JM8
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BU of 5jm8 by Molmil
The structure of ATP-bound aerobactin synthetase IucA from a hypervirulent pathotype of Klebsiella pneumoniae
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aerobactin synthase IucA, MAGNESIUM ION
Authors:Bailey, D.C, Drake, E.J, Gulick, A.M.
Deposit date:2016-04-28
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Characterization of Aerobactin Synthetase IucA from a Hypervirulent Pathotype of Klebsiella pneumoniae.
Biochemistry, 55, 2016
1CVH
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BU of 1cvh by Molmil
STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Ippolito, J.A, Christianson, D.W.
Deposit date:1994-11-16
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural consequences of redesigning a protein-zinc binding site.
Biochemistry, 33, 1994
3MH8
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BU of 3mh8 by Molmil
Crystal structure of LprG from Mycobacterium tuberculosis
Descriptor: Lipoprotein lprG
Authors:Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-07
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2.
Nat.Struct.Mol.Biol., 17, 2010
7VCE
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BU of 7vce by Molmil
Structural studies of human inositol monophosphatase-1 inhibition by ebselen
Descriptor: Inositol monophosphatase 1
Authors:Abuhammad, A, Laurieri, N, Rice, A, Lowe, E.D, McDonough, M.A, Singh, N, Churchill, G.C.
Deposit date:2021-09-02
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselen.
J.Biomol.Struct.Dyn., 2023
1SWK
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BU of 1swk by Molmil
CORE-STREPTAVIDIN MUTANT W79F IN COMPLEX WITH BIOTIN AT PH 4.5
Descriptor: BIOTIN, CORE-STREPTAVIDIN, EPI-BIOTIN
Authors:Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E.
Deposit date:1998-01-27
Release date:1999-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
1SWH
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BU of 1swh by Molmil
CORE-STREPTAVIDIN MUTANT W79F AT PH 4.5
Descriptor: CORE-STREPTAVIDIN
Authors:Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E.
Deposit date:1998-01-27
Release date:1999-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
1SWQ
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BU of 1swq by Molmil
CORE-STREPTAVIDIN MUTANT W120A AT PH 7.5
Descriptor: CORE-STREPTAVIDIN
Authors:Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E.
Deposit date:1998-01-27
Release date:1999-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
1SWL
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BU of 1swl by Molmil
CORE-STREPTAVIDIN MUTANT W108F AT PH 7.0
Descriptor: CORE-STREPTAVIDIN
Authors:Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E.
Deposit date:1998-01-27
Release date:1999-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
4NRA
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BU of 4nra by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322
Descriptor: 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Ferguson, F.M, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
1MX8
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BU of 1mx8 by Molmil
Two homologous rat cellular retinol-binding proteins differ in local structure and flexibility
Descriptor: CELLULAR RETINOL-BINDING PROTEIN I, HOLO, RETINOL
Authors:Lu, J, Cistola, D.P, Li, E.
Deposit date:2002-10-01
Release date:2003-07-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Two homologous rat cellular retinol-binding proteins differ in local conformational flexibility.
J.Mol.Biol., 330, 2003
1DP9
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BU of 1dp9 by Molmil
CRYSTAL STRUCTURE OF IMIDAZOLE-BOUND FIXL HEME DOMAIN
Descriptor: FIXL PROTEIN, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gong, W, Hao, B, Chan, M.K.
Deposit date:1999-12-24
Release date:2000-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New mechanistic insights from structural studies of the oxygen-sensing domain of Bradyrhizobium japonicum FixL.
Biochemistry, 39, 2000
4NRB
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BU of 4nrb by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide
Authors:Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
4FDO
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BU of 4fdo by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT319
Descriptor: 3-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ATJ
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BU of 3atj by Molmil
HEME LIGAND MUTANT OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID
Descriptor: BENZHYDROXAMIC ACID, CALCIUM ION, PROTEIN (HORSERADISH PEROXIDASE C1A), ...
Authors:Meno, K, White, C.G, Smith, A.T, Gajhede, M.
Deposit date:1998-12-16
Release date:1999-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Catalytical Implications of a F221M Mutation in the Proximal Pocket of Horseradish Peroxidase C (HRP C)
To be Published
2XSP
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BU of 2xsp by Molmil
Structure of Cellobiohydrolase 1 (Cel7A) from Heterobasidion annosum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, ...
Authors:Haddad-momeni, M, Hansson, H, Mikkelsen, N.E, Wang, X, Svedberg, J, Sandgren, M, Stahlberg, J.
Deposit date:2010-09-29
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural, Biochemical, and Computational Characterization of the Glycoside Hydrolase Family 7 Cellobiohydrolase of the Tree-Killing Fungus Heterobasidion Irregulare.
J.Biol.Chem., 288, 2013
3L0V
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BU of 3l0v by Molmil
Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor occupying the S1' pocket
Descriptor: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
Authors:Orth, P.
Deposit date:2009-12-10
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6WHS
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BU of 6whs by Molmil
GluN1b-GluN2B NMDA receptor in non-active 1 conformation at 3.95 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Chou, T, Tajima, N, Furukawa, H.
Deposit date:2020-04-08
Release date:2020-08-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
1MFF
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BU of 1mff by Molmil
MACROPHAGE MIGRATION INHIBITORY FACTOR Y95F MUTANT
Descriptor: MACROPHAGE MIGRATION INHIBITORY FACTOR
Authors:Taylor, A.B, Stamps, S.L, Wang, S.C, Hackert, M.L, Whitman, C.P.
Deposit date:1998-10-19
Release date:1999-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of the phenylpyruvate tautomerase activity of macrophage migration inhibitory factor: properties of the P1G, P1A, Y95F, and N97A mutants.
Biochemistry, 39, 2000
6WHV
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BU of 6whv by Molmil
GluN1b-GluN2B NMDA receptor in complex with SDZ 220-040 and L689,560, class 2
Descriptor: (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, (2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chou, T, Tajima, N, Furukawa, H.
Deposit date:2020-04-08
Release date:2020-08-05
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
5J5G
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BU of 5j5g by Molmil
X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Camacho Hernandez, A.G, Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.036 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017

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