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5MI3
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BU of 5mi3 by Molmil
Structure of phosphorylated translation elongation factor EF-Tu from E. coli
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A.
Deposit date:2016-11-27
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
5MI9
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BU of 5mi9 by Molmil
Structure of the phosphomimetic mutant of the elongation factor EF-Tu T62E
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A.
Deposit date:2016-11-27
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
2WRS
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BU of 2wrs by Molmil
Crystal Structure of the Mono-Zinc Metallo-beta-lactamase VIM-4 from Pseudomonas aeruginosa
Descriptor: BETA-LACTAMASE VIM-4, CITRATE ANION, CITRIC ACID, ...
Authors:Lassaux, P, Hamel, M, Gulea, M, Delbruck, H, Traore, D.A.K, Mercuri, P.S, Horsfall, L, Dehareng, D, Gaumont, A.-C, Frere, J.-M, Ferrer, J.-L, Hoffmann, K, Galleni, M, Bebrone, C.
Deposit date:2009-09-02
Release date:2010-06-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-Beta-Lactamases.
J.Med.Chem., 53, 2010
3UH8
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BU of 3uh8 by Molmil
N-terminal domain of phage TP901-1 ORF48
Descriptor: ORF48
Authors:Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C.
Deposit date:2011-11-03
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3U6X
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BU of 3u6x by Molmil
Phage TP901-1 baseplate tripod
Descriptor: BPP, BROMIDE ION, ORF48
Authors:Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C.
Deposit date:2011-10-13
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3EAK
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BU of 3eak by Molmil
NbBCII10 humanized (FGLA mutant)
Descriptor: NbBCII10-FGLA, SULFATE ION
Authors:Vincke, C, Loris, R, Saerens, D, Martinez-Rodriguez, S, Muyldermans, S, Conrath, K.
Deposit date:2008-08-26
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:General strategy to humanize a camelid single-domain antibody and identification of a universal humanized nanobody scaffold.
J.Biol.Chem., 2008
3EBA
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BU of 3eba by Molmil
CAbHul6 FGLW mutant (humanized) in complex with human lysozyme
Descriptor: CAbHul6, Lysozyme C, SULFATE ION
Authors:Loris, R, Vincke, C, Saerens, D, Martinez-Rodriguez, S, Muyldermans, S, Conrath, K.
Deposit date:2008-08-27
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:General Strategy to Humanize a Camelid Single-domain Antibody and Identification of a Universal Humanized Nanobody Scaffold
J.Biol.Chem., 284, 2009
1ZM7
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BU of 1zm7 by Molmil
Crystal structure of D. melanogaster deoxyribonucleoside kinase mutant N64D in complex with dTTP
Descriptor: Deoxynucleoside kinase, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
Authors:Welin, M, Skovgaard, T, Knecht, W, Berenstein, D, Munch-Petersen, B, Piskur, J, Eklund, H.
Deposit date:2005-05-10
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the changed substrate specificity of Drosophila melanogaster deoxyribonucleoside kinase mutant N64D.
Febs J., 272, 2005
1ZMX
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BU of 1zmx by Molmil
Crystal structure of D. melanogaster deoxyribonucleoside kinase N64D mutant in complex with thymidine
Descriptor: Deoxynucleoside kinase, SULFATE ION, THYMIDINE
Authors:Welin, M, Skovgaard, T, Knecht, W, Berenstein, D, Munch-Petersen, B, Piskur, J, Eklund, H.
Deposit date:2005-05-11
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the changed substrate specificity of Drosophila melanogaster deoxyribonucleoside kinase mutant N64D.
Febs J., 272, 2005
2JZI
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BU of 2jzi by Molmil
Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin
Descriptor: CALCIUM ION, Calmodulin, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform
Authors:Chyan, C, Huang, J, Irene, D, Lin, T.
Deposit date:2008-01-09
Release date:2009-01-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin
To be Published
1CXR
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BU of 1cxr by Molmil
AUTOMATED 2D NOESY ASSIGNMENT AND STRUCTURE CALCULATION OF CRAMBIN(S22/I25) WITH SELF-CORRECTING DISTANCE GEOMETRY BASED NOAH/DIAMOD PROGRAMS
Descriptor: CRAMBIN
Authors:Xu, Y, Wu, J, Gorenstein, D, Braun, W.
Deposit date:1999-08-30
Release date:1999-09-07
Last modified:2018-03-14
Method:SOLUTION NMR
Cite:Automated 2D NOESY assignment and structure calculation of Crambin(S22/I25) with the self-correcting distance geometry based NOAH/DIAMOD programs.
J.Magn.Reson., 136, 1999
1KFZ
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BU of 1kfz by Molmil
Solution Structure of C-terminal Sem-5 SH3 Domain (Ensemble of 16 Structures)
Descriptor: SEX MUSCLE ABNORMAL PROTEIN 5
Authors:Ferreon, J.C, Volk, D.E, Luxon, B.A, Gorenstein, D, Hilser, V.J.
Deposit date:2001-11-24
Release date:2003-05-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble of Sem-5 C-Terminal SH3 Domain
Biochemistry, 42, 2003
1J3G
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BU of 1j3g by Molmil
Solution structure of Citrobacter Freundii AmpD
Descriptor: AmpD protein, ZINC ION
Authors:Liepinsh, E, Genereux, C, Dehareng, D, Joris, B, Otting, G.
Deposit date:2003-01-31
Release date:2003-02-18
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR Structure of Citrobacter freundii AmpD, Comparison with Bacteriophage T7 Lysozyme and Homology with PGRP Domains
J.Mol.Biol., 327, 2003
7V8N
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BU of 7v8n by Molmil
Crystal structure of the PWWP-ARID domain of ARID4A
Descriptor: AT-rich interactive domain-containing protein 4A
Authors:Wei, X, Lin, L, Lu, Q.
Deposit date:2021-08-23
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the PWWP-ARID of ARID4A
To Be Published
1C54
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BU of 1c54 by Molmil
SOLUTION STRUCTURE OF RIBONUCLEASE SA
Descriptor: RIBONUCLEASE SA
Authors:Laurents, D.V, Canadillas-Perez, J.M, Santoro, J, Schell, D, Pace, C.N, Rico, M, Bruix, M.
Deposit date:1999-10-22
Release date:2001-11-28
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure and dynamics of ribonuclease Sa.
Proteins, 44, 2001
2L4V
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BU of 2l4v by Molmil
Three Dimensional Structure of Pineapple Cystatin
Descriptor: Cystatin
Authors:Chyan, C.C.L, Deli, I.I, Chen, B.B.J.
Deposit date:2010-10-15
Release date:2011-10-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Resonance assignments and secondary structure of a phytocystatin from Ananas comosus
Biomol.Nmr Assign., 6, 2012
2M0J
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BU of 2m0j by Molmil
3D Structure of Calmodulin and Calmodulin binding domain of Olfactory cyclic nucleotide-gated ion channel complex
Descriptor: CALCIUM ION, Calmodulin, Peptide from Cyclic nucleotide-gated olfactory channel
Authors:Deli, I, Chyan, C.
Deposit date:2012-10-29
Release date:2013-10-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Binding orientation and specificity of calmodulin to rat olfactory cyclic nucleotide-gated ion channel
J.Biomol.Struct.Dyn., 31, 2013
2M0K
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BU of 2m0k by Molmil
3D Structure of Calmodulin and Calmodulin Binding Domain of Rat Olfactory Cyclic Nucleotide-Gated Ion Channel
Descriptor: CALCIUM ION, Calmodulin, Peptide from Cyclic nucleotide-gated olfactory channel
Authors:Deli, I, Chyan, C.
Deposit date:2012-10-29
Release date:2013-10-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Binding orientation and specificity of calmodulin to rat olfactory cyclic nucleotide-gated ion channel.
J.Biomol.Struct.Dyn., 31, 2013
1BCG
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BU of 1bcg by Molmil
SCORPION TOXIN BJXTR-IT
Descriptor: TOXIN BJXTR-IT
Authors:Oren, D, Froy, O, Amit, E, Kleinberger-Doron, N, Gurevitz, M, Shaanan, B.
Deposit date:1998-04-29
Release date:1998-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An excitatory scorpion toxin with a distinctive feature: an additional alpha helix at the C terminus and its implications for interaction with insect sodium channels.
Structure, 6, 1998
5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
Descriptor: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
Descriptor: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
6NKO
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BU of 6nko by Molmil
Crystal structure of ForH
Descriptor: ForH
Authors:Zheng, J, Irani, S, Zhang, Y.
Deposit date:2019-01-07
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Identification of the Formycin A Biosynthetic Gene Cluster from Streptomyces kaniharaensis Illustrates the Interplay between Biological Pyrazolopyrimidine Formation and de Novo Purine Biosynthesis.
J. Am. Chem. Soc., 141, 2019
3SKC
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BU of 3skc by Molmil
Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor
Descriptor: 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C, Sturgis, H.L.
Deposit date:2011-06-22
Release date:2011-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Bioorg.Med.Chem.Lett., 21, 2011
4XJ0
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BU of 4xj0 by Molmil
Crystal structure of ERK2 in complex with an inhibitor 14K
Descriptor: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2015-01-08
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
7DE7
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BU of 7de7 by Molmil
Crystal structure of PDZD7 HHD domain
Descriptor: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, PDZ domain-containing protein 7
Authors:Wang, H, Lin, L, Lu, Q.
Deposit date:2020-11-02
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure and Membrane Targeting of the PDZD7 Harmonin Homology Domain (HHD) Associated With Hearing Loss.
Front Cell Dev Biol, 9, 2021

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