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3GX7
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BU of 3gx7 by Molmil
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G mutant A6C/U7G/A87C/U88G bound with SAM
Descriptor: MAGNESIUM ION, RNA (94-MER), S-ADENOSYLMETHIONINE
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3H5W
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BU of 3h5w by Molmil
Crystal structure of the GluR2-ATD in space group P212121 without solvent
Descriptor: Glutamate receptor 2
Authors:Jin, R, Singh, S.K, Gu, S, Furukawa, H, Sobolevsky, A, Zhou, J, Jin, Y, Gouaux, E.
Deposit date:2009-04-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.686 Å)
Cite:Crystal structure and association behaviour of the GluR2 amino-terminal domain.
Embo J., 28, 2009
3HAJ
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BU of 3haj by Molmil
Crystal structure of human PACSIN2 F-BAR domain (p212121 lattice)
Descriptor: CALCIUM ION, human PACSIN2 F-BAR
Authors:Wang, Q, Navarro, M.V.A.S, Peng, G, Rajashankar, K.R, Sondermann, H.
Deposit date:2009-05-01
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HAB
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BU of 3hab by Molmil
The structure of DPP4 in complex with piperidine fused benzimidazole 25
Descriptor: (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2009-05-01
Release date:2009-07-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3HAW
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BU of 3haw by Molmil
Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3IJ9
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Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
Descriptor: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, CHLORIDE ION, ...
Authors:Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
Deposit date:2009-08-04
Release date:2009-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
3IRW
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BU of 3irw by Molmil
Structure of a c-di-GMP riboswitch from V. cholerae
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ...
Authors:Smith, K.D.
Deposit date:2009-08-24
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand binding by a c-di-GMP riboswitch.
Nat.Struct.Mol.Biol., 16, 2009
5NSK
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apo Structure of Leucyl aminopeptidase from Trypanosoma brucei
Descriptor: Aminopeptidase, putative
Authors:Timm, J, Wilson, K.S.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NSD
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Co-crystal structure of NAMPT dimer with KPT-9274
Descriptor: (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ...
Authors:Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D.
Deposit date:2017-04-26
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.046 Å)
Cite:Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes.
Nat Commun, 9, 2018
5O2R
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BU of 5o2r by Molmil
Cryo-EM structure of the proline-rich antimicrobial peptide Api137 bound to the terminating ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Graf, M, Berninghausen, O, Beckmann, R, Wilson, D.N.
Deposit date:2017-05-22
Release date:2017-07-26
Last modified:2019-02-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An antimicrobial peptide that inhibits translation by trapping release factors on the ribosome.
Nat. Struct. Mol. Biol., 24, 2017
5NXN
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BU of 5nxn by Molmil
Structure of a L5-deletion mutant of Providencia stuartii Omp-Pst1
Descriptor: CALCIUM ION, Porin 1
Authors:El Khatib, M, Colletier, J.P.
Deposit date:2017-05-10
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Porin self-association enables cell-to-cell contact in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NP6
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BU of 5np6 by Molmil
70S structure prior to bypassing
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Samatova, E, Klimova, M, Zamora, M, Gil-Carton, D, Rodnina, M, Valle, M.
Deposit date:2017-04-13
Release date:2017-06-14
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Ribosome rearrangements at the onset of translational bypassing.
Sci Adv, 3, 2017
3I6W
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BU of 3i6w by Molmil
Structure and Activation Mechanism of the CHK2 DNA-Damage Checkpoint Kinase
Descriptor: Serine/threonine-protein kinase Chk2
Authors:Pavletich, N.P.
Deposit date:2009-07-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure and activation mechanism of the CHK2 DNA damage checkpoint kinase.
Mol.Cell, 35, 2009
3IAR
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BU of 3iar by Molmil
The crystal structure of human adenosine deaminase
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Adenosine deaminase, GLYCEROL, ...
Authors:Ugochukwu, E, Zhang, Y, Hapka, E, Yue, W.W, Bray, J.E, Muniz, J, Burgess-Brown, N, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-07-14
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The crystal structure of human adenosine deaminase
To be Published
5N10
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BU of 5n10 by Molmil
Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform
Descriptor: 14-3-3 protein beta/alpha, Cucurbit[8]uril, Estrogen receptor, ...
Authors:de Vink, P.J, Ottmann, C.
Deposit date:2017-02-04
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Binary Bivalent Supramolecular Assembly Platform Based on Cucurbit[8]uril and Dimeric Adapter Protein 14-3-3.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NHL
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BU of 5nhl by Molmil
Human Erk2 with an Erk1/2 inhibitor
Descriptor: (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
Deposit date:2017-03-21
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
5NMO
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BU of 5nmo by Molmil
Structure of the Bacillus subtilis Smc Joint domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Chromosome partition protein Smc,Chromosome partition protein Smc, ...
Authors:Diebold-Durand, M.-L, Basquin, J, Gruber, S.
Deposit date:2017-04-06
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure of Full-Length SMC and Rearrangements Required for Chromosome Organization.
Mol. Cell, 67, 2017
5NO4
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BU of 5no4 by Molmil
RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate with uS3)
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R.
Deposit date:2017-04-10
Release date:2017-05-31
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (5.16 Å)
Cite:RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
5NO2
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BU of 5no2 by Molmil
RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate)
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R.
Deposit date:2017-04-10
Release date:2017-05-24
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (5.16 Å)
Cite:RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
5NPY
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BU of 5npy by Molmil
Crystal structure of Helicobacter pylori flagellar hook protein FlgE2
Descriptor: Flagellar basal body protein, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
Authors:Loconte, V, Zanotti, G, Kekez, I, Matkovic-Calogovic, D.
Deposit date:2017-04-19
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Structural characterization of FlgE2 protein from Helicobacter pylori hook.
FEBS J., 284, 2017
5N7E
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BU of 5n7e by Molmil
Crystal structure of the Dbl-homology domain of Bcr-Abl in complex with monobody Mb(Bcr-DH_4).
Descriptor: Breakpoint cluster region protein, Mb(Bcr-DH_4)
Authors:Reckel, S, Reynaud, A, Pojer, F, Hantschel, O.
Deposit date:2017-02-20
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase.
Nat Commun, 8, 2017
3GX5
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BU of 3gx5 by Molmil
Crystal structure of T. tencongensis SAM-I riboswitch variant A94G/U34 bound with SAM
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (94-MER), ...
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
5Q0C
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BU of 5q0c by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with fructose-2,6-diphosphate
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-18
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with f2,6p
To be published
3H2W
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BU of 3h2w by Molmil
Structure of A. acidocaldarius cellulase CelA in complex with cellobiose
Descriptor: CALCIUM ION, COBALT (II) ION, Cellulase, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2009-04-14
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structures of A. acidocaldarius endoglucanase Cel9A in complex with Cello-oligosaccharides: strong -1 and -2 subsites mimic cellobiohydrolase activity
J.Mol.Biol., 394, 2009
3I6Z
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BU of 3i6z by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
Authors:Lamba, D, Bartolucci, C.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010

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