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3L1S
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BU of 3l1s by Molmil
3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3
Descriptor: (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
Authors:Haar, T.E.
Deposit date:2009-12-14
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta.
Bioorg.Med.Chem.Lett., 20, 2010
1Q6Q
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BU of 1q6q by Molmil
Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound xylitol 5-phosphate
Descriptor: 3-keto-L-gulonate 6-phosphate decarboxylase, L-XYLITOL 5-PHOSPHATE, MAGNESIUM ION
Authors:Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I.
Deposit date:2003-08-13
Release date:2003-10-28
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Structural Evidence for a 1,2-Enediolate Intermediate in the Reaction Catalyzed by 3-Keto-l-Gulonate 6-Phosphate Decarboxylase, a Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily
Biochemistry, 42, 2003
3EP5
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BU of 3ep5 by Molmil
Human AdoMetDC E178Q mutant with no putrescine bound
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ...
Authors:Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E.
Deposit date:2008-09-29
Release date:2008-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase.
Biochemistry, 47, 2008
4CDW
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BU of 4cdw by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4
Descriptor: 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ...
Authors:De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2013-11-06
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
1XM2
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BU of 1xm2 by Molmil
Crystal structure of Human PRL-1
Descriptor: SULFATE ION, Tyrosine Phosphatase
Authors:Jeong, D.G, Kim, S.J, Kim, J.H, Son, J.H, Ryu, S.E.
Deposit date:2004-10-01
Release date:2005-01-25
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Trimeric structure of PRL-1 phosphatase reveals an active enzyme conformation and regulation mechanisms
J.Mol.Biol., 345, 2005
4BY6
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BU of 4by6 by Molmil
Yeast Not1-Not2-Not5 complex
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bhaskar, V, Basquin, J, Conti, E.
Deposit date:2013-07-18
Release date:2013-10-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Structure and RNA-Binding Properties of the not1-not2-not5 Module of the Yeast Ccr4-not Complex
Nat.Struct.Mol.Biol., 20, 2013
1QCW
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BU of 1qcw by Molmil
Flavocytochrome B2, ARG289LYS mutant
Descriptor: FLAVOCYTOCHROME B2, N-SULFO-FLAVIN MONONUCLEOTIDE
Authors:Mowat, C.G, Durley, R.C.E, Pike, A.D, Barton, J.D, Chen, Z.-W, Mathews, F.S, Lederer, F, Reid, G.A, Chapman, S.K.
Deposit date:1999-05-07
Release date:1999-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Kinetic and crystallographic studies on the active site Arg289Lys mutant of flavocytochrome b2 (yeast L-lactate dehydrogenase)
Biochemistry, 39, 2000
2OMX
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BU of 2omx by Molmil
Crystal structure of InlA S192N G194S+S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4B2P
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BU of 4b2p by Molmil
RadA C-terminal ATPase domain from Pyrococcus furiosus bound to GTP
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2012-07-17
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
7MDI
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BU of 7mdi by Molmil
Structure of the Neisseria gonorrhoeae ribonucleotide reductase in the inactive state
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Levitz, T.S, Drennan, C.L, Brignole, E.J.
Deposit date:2021-04-05
Release date:2022-01-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Effects of chameleon dispense-to-plunge speed on particle concentration, complex formation, and final resolution: A case study using the Neisseria gonorrhoeae ribonucleotide reductase inactive complex.
J.Struct.Biol., 214, 2021
1FXV
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BU of 1fxv by Molmil
PENICILLIN ACYLASE MUTANT IMPAIRED IN CATALYSIS WITH PENICILLIN G IN THE ACTIVE SITE
Descriptor: CALCIUM ION, PENICILLIN ACYLASE, PENICILLIN G
Authors:Alkema, W.B, Hensgens, C.M, Kroezinga, E.H, de Vries, E, Floris, R, van der Laan, J.M, Dijkstra, B.W, Janssen, D.B.
Deposit date:2000-09-27
Release date:2001-03-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Characterization of the beta-lactam binding site of penicillin acylase of Escherichia coli by structural and site-directed mutagenesis studies.
Protein Eng., 13, 2000
2PHB
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BU of 2phb by Molmil
An Orally Efficacious Factor Xa Inhibitor
Descriptor: (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
Authors:Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C.
Deposit date:2007-04-10
Release date:2008-03-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Chem.Biol.Drug Des., 70, 2007
1XOC
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BU of 1xoc by Molmil
The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
Descriptor: Nonapeptide VDSKNTSSW, Oligopeptide-binding protein appA, ZINC ION
Authors:Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wright, L, Vagin, A.A, Wilkinson, A.J.
Deposit date:2004-10-06
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
J.Mol.Biol., 345, 2005
1UXV
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BU of 1uxv by Molmil
Structural basis for allosteric regulation and substrate specificity of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase (GAPN) from Thermoproteus tenax
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (NADP+), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lorentzen, E, Hensel, R, Pohl, E.
Deposit date:2004-03-01
Release date:2004-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Allosteric Regulation and Substrate Specificity of the Non-Phosphorylating Glyceraldehyde 3-Phosphate Dehydrogenase from Thermoproteus Tenax
J.Mol.Biol., 341, 2004
1ZRB
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BU of 1zrb by Molmil
Thrombin in complex with an azafluorenyl inhibitor 23b
Descriptor: 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ...
Authors:Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y.
Deposit date:2005-05-19
Release date:2005-06-07
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:9-hydroxyazafluorenes and their use in thrombin inhibitors
J.Med.Chem., 48, 2005
5Z7R
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BU of 5z7r by Molmil
Crystal structure of crotonase from Clostridium acetobutylicum
Descriptor: Short-chain-enoyl-CoA hydratase
Authors:Kim, E.-J, Kim, Y.-J, Kim, K.-J.
Deposit date:2018-01-30
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into substrate specificity of crotonase from the n-butanol producing bacterium Clostridium acetobutylicum.
Biochem. Biophys. Res. Commun., 451, 2014
4BA9
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BU of 4ba9 by Molmil
The structural basis for the coordination of Y-family Translesion DNA Polymerases by Rev1
Descriptor: DNA POLYMERASE KAPPA, DNA REPAIR PROTEIN REV1, MAGNESIUM ION, ...
Authors:Grummitt, C.G, Kilkenny, M.L, Frey, A, Roe, S.M, Oliver, A.W, Sale, J.E, Pearl, L.H.
Deposit date:2012-09-12
Release date:2013-09-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:The Structural Basis for the Coordination of Y- Family Translesion DNA Polymerases by Rev1
To be Published
2Q2Q
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BU of 2q2q by Molmil
Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas putida
Descriptor: Beta-D-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Paithankar, K.S, Feller, C, Kuettner, E.B, Keim, A, Grunow, M, Strater, N.
Deposit date:2007-05-29
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Cosubstrate-induced dynamics of D-3-hydroxybutyrate dehydrogenase from Pseudomonas putida.
Febs J., 274, 2007
3KZ4
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BU of 3kz4 by Molmil
Crystal Structure of the Rotavirus Double Layered Particle
Descriptor: Inner capsid protein VP2, Intermediate capsid protein VP6, ZINC ION
Authors:Mcclain, B, Settembre, E.C, Bellamy, A.R, Harrison, S.C.
Deposit date:2009-12-07
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:X-ray crystal structure of the rotavirus inner capsid particle at 3.8 A resolution.
J.Mol.Biol., 397, 2010
5ZA2
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BU of 5za2 by Molmil
Fox-4 beta-lactamase complexed with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Nukaga, M, Hoshino, T, Papp-Wallace, K.M, Bonomo, R.A.
Deposit date:2018-02-06
Release date:2018-03-07
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Probing the Mechanism of Inactivation of the FOX-4 Cephamycinase by Avibactam
Antimicrob. Agents Chemother., 62, 2018
2Q4Y
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BU of 2q4y by Molmil
Ensemble refinement of the protein crystal structure of At1g77540-coenzyme A complex
Descriptor: COENZYME A, Uncharacterized protein At1g77540
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
3KIK
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BU of 3kik by Molmil
Sgf11:Sus1 complex
Descriptor: Protein SUS1, SAGA-associated factor 11
Authors:Stewart, M, Ellisdon, A.M.
Deposit date:2009-11-02
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the interaction between yeast Spt-Ada-Gcn5 acetyltransferase (SAGA) complex components Sgf11 and Sus1
J.Biol.Chem., 285, 2010
1PZK
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BU of 1pzk by Molmil
Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h
Descriptor: Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
Authors:Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
Deposit date:2003-07-11
Release date:2004-03-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
5TPX
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BU of 5tpx by Molmil
Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound
Descriptor: (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ...
Authors:Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-10-21
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
4BGV
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BU of 4bgv by Molmil
1.8 A resolution structure of the malate dehydrogenase from Picrophilus torridus in its apo form
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Talon, R, Madern, D, Girard, E.
Deposit date:2013-03-28
Release date:2014-04-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Insight Into Structural Evolution of Extremophilic Proteins
To be Published

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