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2GC3
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BU of 2gc3 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with mannose 6-phosphate and zinc
Descriptor: 6-O-phosphono-alpha-D-mannopyranose, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
4MY4
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BU of 4my4 by Molmil
Crystal structure of phosphoglycerate mutase from Staphylococcus aureus.
Descriptor: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION
Authors:Roychowdhury, A, Kundu, A, Gujar, A, Bose, M, Das, A.K.
Deposit date:2013-09-27
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism
Febs J., 282, 2015
5ZG6
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BU of 5zg6 by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "post-acylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
3KFJ
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BU of 3kfj by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ...
Authors:Clements, J.H.
Deposit date:2009-10-27
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization.
J.Am.Chem.Soc., 131, 2009
3KPW
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BU of 3kpw by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline
Descriptor: ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQP
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BU of 3kqp by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline
Descriptor: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-6-amine
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
1RTL
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BU of 1rtl by Molmil
CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR
Descriptor: N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE, NS3 protease/helicase, NS4A COFACTOR, ...
Authors:Skarzynski, T, Somers, D.O.N.
Deposit date:2003-12-10
Release date:2004-12-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Pyrrolidine-5,5-trans-lactams. 4. Incorporation of a P3/P4 urea leads to potent intracellular inhibitors of hepatitis C virus NS3/4A protease
Org.Lett., 5, 2003
3KPV
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BU of 3kpv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Adenine
Descriptor: ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQQ
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BU of 3kqq by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid
Descriptor: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3L4E
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BU of 3l4e by Molmil
1.5A Crystal Structure of a Putative Peptidase E Protein from Listeria monocytogenes EGD-e
Descriptor: SULFATE ION, Uncharacterized peptidase Lmo0363
Authors:Brunzelle, J.S, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-12-19
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.5A Crystal Structure of a Putative Peptidase E Protein from Listeria monocytogenes EGD-e
To be Published
3KQO
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BU of 3kqo by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine
Descriptor: 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
5Y9L
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BU of 5y9l by Molmil
Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one
Descriptor: 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7
Authors:Sugawara, H.
Deposit date:2017-08-25
Release date:2017-11-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
3LG3
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BU of 3lg3 by Molmil
1.4A Crystal Structure of Isocitrate Lyase from Yersinia pestis CO92
Descriptor: Isocitrate lyase
Authors:Sharma, S.S, Brunzelle, J.S, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-01-19
Release date:2010-04-14
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:1.4A Crystal Structure of Isocitrate Lyase from Yersinia pestis CO92
To be Published
2GC1
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BU of 2gc1 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with sorbitol 6-phosphate and zinc
Descriptor: D-SORBITOL-6-PHOSPHATE, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
3LU2
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BU of 3lu2 by Molmil
Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase
Descriptor: Lmo2462 protein, ZINC ION
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-02-16
Release date:2010-03-09
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase
To be Published
5ZFT
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BU of 5zft by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZDO
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BU of 5zdo by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
Descriptor: CHLORIDE ION, Glutamine-tRNA ligase
Authors:Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
Deposit date:2018-02-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
2B90
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BU of 2b90 by Molmil
Crystal structure of the interleukin-4 variant T13DR85A
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
2B91
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BU of 2b91 by Molmil
Crystal structure of the interleukin-4 variant F82DR85A
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
2B8Z
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BU of 2b8z by Molmil
Crystal structure of the interleukin-4 variant R85A
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-10
Release date:2006-05-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
2GC0
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BU of 2gc0 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with 5-phospho-D-arabinonohydroxamate and zinc
Descriptor: 5-PHOSPHO-D-ARABINOHYDROXAMIC ACID, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
7MX9
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BU of 7mx9 by Molmil
Crystal structure of the SARS-CoV-2 ORF8 accessory protein
Descriptor: ORF8 protein
Authors:Bailey-Elkin, B.A, Stetefeld, J.
Deposit date:2021-05-18
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The unique ORF8 protein of SARS-CoV-2 binds to human dendritic cells and induces a cytokine storm
To Be Published
4XB2
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BU of 4xb2 by Molmil
Hyperthermophilic archaeal homoserine dehydrogenase mutant in complex with NADPH
Descriptor: 319aa long hypothetical homoserine dehydrogenase, L-HOMOSERINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sakuraba, H, Inoue, S, Yoneda, K, Ohshima, T.
Deposit date:2014-12-16
Release date:2015-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures of a Hyperthermophilic Archaeal Homoserine Dehydrogenase Suggest a Novel Cofactor Binding Mode for Oxidoreductases.
Sci Rep, 5, 2015
7O3R
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BU of 7o3r by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-042
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-02
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O5C
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BU of 7o5c by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-159
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-08
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021

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