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6GS5
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BU of 6gs5 by Molmil
NMR structure of temporin L in SDS micelles
Descriptor: Temporin-L
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-06-13
Release date:2018-07-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities.
Sci Rep, 9, 2019
1QF6
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BU of 1qf6 by Molmil
STRUCTURE OF E. COLI THREONYL-TRNA SYNTHETASE COMPLEXED WITH ITS COGNATE TRNA
Descriptor: ADENOSINE MONOPHOSPHATE, THREONINE TRNA, THREONYL-TRNA SYNTHETASE, ...
Authors:Sankaranarayanan, R, Dock-Bregeon, A.C, Rees, B, Moras, D.
Deposit date:1999-04-06
Release date:1999-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of threonyl-tRNA synthetase-tRNA(Thr) complex enlightens its repressor activity and reveals an essential zinc ion in the active site
Cell(Cambridge,Mass.), 97, 1999
4OJX
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BU of 4ojx by Molmil
crystal structure of yeast phosphodiesterase-1 in complex with GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
2FBP
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BU of 2fbp by Molmil
STRUCTURE REFINEMENT OF FRUCTOSE-1,6-BISPHOSPHATASE AND ITS FRUCTOSE 2,6-BISPHOSPHATE COMPLEX AT 2.8 ANGSTROMS RESOLUTION
Descriptor: FRUCTOSE 1,6-BISPHOSPHATASE
Authors:Ke, H, Thorpe, C.M, Seaton, B.A, Marcus, F, Lipscomb, W.N.
Deposit date:1990-06-07
Release date:1992-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure refinement of fructose-1,6-bisphosphatase and its fructose 2,6-bisphosphate complex at 2.8 A resolution.
J.Mol.Biol., 212, 1990
2DSC
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BU of 2dsc by Molmil
Crystal structure of human ADP-ribose pyrophosphatase NUDT5 in complex with magnesium and ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-sugar pyrophosphatase, MAGNESIUM ION
Authors:Zha, M, Zhong, C, Ding, J.
Deposit date:2006-06-28
Release date:2006-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Human NUDT5 Reveal Insights into the Structural Basis of the Substrate Specificity
J.Mol.Biol., 364, 2006
3E8C
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BU of 3e8c by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3VQH
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BU of 3vqh by Molmil
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Pflug, A, Johnson, K.A, Engh, R.A.
Deposit date:2012-03-23
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
5HOU
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BU of 5hou by Molmil
Solution Structure of p53TAD-TAZ1
Descriptor: Cellular tumor antigen p53,CREB-binding protein fusion protein, ZINC ION
Authors:Krois, A.S, Ferreon, J.C, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2016-01-19
Release date:2016-03-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of the disordered p53 transactivation domain by the transcriptional adapter zinc finger domains of CREB-binding protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HP0
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BU of 5hp0 by Molmil
Solution Structure of TAZ2-p53AD2
Descriptor: CREB-binding protein,Cellular tumor antigen p53 fusion protein, ZINC ION
Authors:Krois, A.S, Ferreon, J.C, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2016-01-19
Release date:2016-03-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of the disordered p53 transactivation domain by the transcriptional adapter zinc finger domains of CREB-binding protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
3GYD
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BU of 3gyd by Molmil
Crystal structure of a cyclic nucleotide-binding domain (mfla_1926) from methylobacillus flagellatus kt at 1.79 A resolution
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Cyclic nucleotide-binding domain, GLYCEROL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-03
Release date:2009-04-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of cyclic nucleotide-binding domain (YP_546034.1) from Methylobacillus flagellatus KT at 1.79 A resolution
To be published
4EQG
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BU of 4eqg by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Ala-AMS
Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
4EQE
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BU of 4eqe by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Lys-AMS
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
4EQH
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BU of 4eqh by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Trp-AMS
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
3E8E
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BU of 3e8e by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
5BU2
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BU of 5bu2 by Molmil
Structure of the C-terminal domain of lpg1496 from Legionella pneumophila in complex with nucleotide
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, alpha-D-ribofuranose, ...
Authors:Wong, K, Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2015-06-03
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism.
J.Biol.Chem., 290, 2015
7ZDV
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BU of 7zdv by Molmil
IF(apo/as isolated) conformation of CydDC mutant (E500Q.C) in AMP-PNP(CydD) bound state (Dataset-20)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDW
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BU of 7zdw by Molmil
IF(heme/confined) conformation of CydDC mutant (E500Q.C) in AMP-PNP(CydD) bound state (Dataset-22)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, HEME B/C, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZE5
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BU of 7ze5 by Molmil
Occ(apo/return) conformation of CydDC mutant (E500Q.C) in ATP(CydC)/AMP-PNP(CydD) bound state (Dataset-23)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZZ8
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BU of 7zz8 by Molmil
Cryo-EM structure of Lactococcus lactis pyruvate carboxylase with acetyl-CoA and cyclic di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M.
Deposit date:2022-05-25
Release date:2022-10-12
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase.
Nat Commun, 13, 2022
3SEZ
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BU of 3sez by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in complex with ATP and NaAD+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Glutamine-dependent NAD(+) synthetase, NICOTINIC ACID ADENINE DINUCLEOTIDE
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-11
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6529 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3ZO1
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BU of 3zo1 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
2WFE
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BU of 2wfe by Molmil
Structure of the Candida albicans cytosolic leucyl-tRNA synthetase editing domain
Descriptor: CYTOSOLIC LEUCYL-TRNA SYNTHETASE
Authors:Seiradake, E, Mao, W, Hernandez, V, Baker, S.J, Plattner, J.J, Alley, M.R.K, Cusack, S.
Deposit date:2009-04-04
Release date:2009-05-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
3ZO3
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BU of 3zo3 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
3ZO2
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BU of 3zo2 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
7QPN
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BU of 7qpn by Molmil
Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP
Descriptor: 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C)
Authors:Howard, T.D, Ogg, D.T.
Deposit date:2022-01-05
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase gamma Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode.
J.Med.Chem., 65, 2022

224572

数据于2024-09-04公开中

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