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5D8D
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BU of 5d8d by Molmil
Crystal structure of D-alanine-D-alanine ligase from Acinetobacter baumannii
Descriptor: D-alanine--D-alanine ligase
Authors:Huynh, K.H, Hong, M.K, Kang, L.W.
Deposit date:2015-08-17
Release date:2016-08-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The crystal structure of the D-alanine-D-alanine ligase from Acinetobacter baumannii suggests a flexible conformational change in the central domain before nucleotide binding
J. Microbiol., 53, 2015
5DMX
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BU of 5dmx by Molmil
Crystal structure of D-alanine-D-alanine ligase from Acinetobacter baumannii, space group p212121
Descriptor: D-alanine--D-alanine ligase
Authors:Huynh, K.H, Hong, M.K, Kang, L.W.
Deposit date:2015-09-09
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The crystal structure of the D-alanine-D-alanine ligase from Acinetobacter baumannii suggests a flexible conformational change in the central domain before nucleotide binding
J. Microbiol., 53, 2015
2MBC
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BU of 2mbc by Molmil
Solution Structure of human holo-PRL-3 in complex with vanadate
Descriptor: Protein tyrosine phosphatase type IVA 3
Authors:Jeong, K, Kang, D, Kim, J, Shin, S, Jin, B, Lee, C, Kim, E, Jeon, Y.H, Kim, Y.
Deposit date:2013-07-29
Release date:2013-10-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and backbone dynamics of vanadate-bound PRL-3: comparison of 15N nuclear magnetic resonance relaxation profiles of free and vanadate-bound PRL-3.
Biochemistry, 53, 2014
7Y28
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BU of 7y28 by Molmil
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Descriptor: 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y.
Deposit date:2022-06-09
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
7Y1H
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Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Descriptor: 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y.
Deposit date:2022-06-08
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
7Y1W
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BU of 7y1w by Molmil
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Descriptor: (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y.
Deposit date:2022-06-09
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
7Y3S
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BU of 7y3s by Molmil
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Descriptor: 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y.
Deposit date:2022-06-12
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
6MKF
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BU of 6mkf by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the imipenem-bound form
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKA
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BU of 6mka by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the open conformation
Descriptor: SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKG
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BU of 6mkg by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the benzylpenicilin-bound form
Descriptor: OPEN FORM - PENICILLIN G, SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
3RBY
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BU of 3rby by Molmil
Crystal structure of uncharacterized protein YLR301w from Saccharomycces cerevisiae
Descriptor: SULFATE ION, TRIETHYLENE GLYCOL, Uncharacterized protein YLR301W
Authors:Kim, K.-H, Kim, E.E.
Deposit date:2011-03-30
Release date:2012-03-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Novel beta-structure of YLR301w from Saccharomyces cerevisiae.
Acta Crystallogr.,Sect.D, 68, 2012
6JL9
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BU of 6jl9 by Molmil
Crystal structure of a frog ependymin related protein
Descriptor: CALCIUM ION, Ependymin-related 1
Authors:Park, S.Y.
Deposit date:2019-03-04
Release date:2019-07-10
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of three ependymin-related proteins suggest their function as a hydrophobic molecule binder.
Iucrj, 6, 2019
3S9D
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BU of 3s9d by Molmil
binary complex between IFNa2 and IFNAR2
Descriptor: CHLORIDE ION, Interferon alpha-2, Interferon alpha/beta receptor 2
Authors:Thomas, C, Garcia, K.C.
Deposit date:2011-06-01
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9999 Å)
Cite:Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3SE3
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BU of 3se3 by Molmil
human IFNa2-IFNAR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon alpha 2b, Interferon alpha/beta receptor 1, ...
Authors:Thomas, C, Garcia, K.C.
Deposit date:2011-06-10
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.0001 Å)
Cite:Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
6JLA
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BU of 6jla by Molmil
Crystal structure of a mouse ependymin related protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Mammalian ependymin-related protein 1
Authors:Park, S.
Deposit date:2019-03-04
Release date:2020-03-04
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of three ependymin-related proteins suggest their function as a hydrophobic molecule binder.
Iucrj, 6, 2019
6JLD
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BU of 6jld by Molmil
Crystal structure of a human ependymin related protein
Descriptor: Mammalian ependymin-related protein 1
Authors:Park, S.Y.
Deposit date:2019-03-05
Release date:2019-07-10
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of three ependymin-related proteins suggest their function as a hydrophobic molecule binder.
Iucrj, 6, 2019
3S98
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BU of 3s98 by Molmil
human IFNAR1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon alpha/beta receptor 1
Authors:Thomas, C, Garcia, K.C.
Deposit date:2011-06-01
Release date:2011-08-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3S8W
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BU of 3s8w by Molmil
D2 domain of human IFNAR2
Descriptor: CHLORIDE ION, Interferon alpha/beta receptor 2
Authors:Thomas, C, Garcia, K.C.
Deposit date:2011-05-31
Release date:2011-08-31
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3SE4
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BU of 3se4 by Molmil
human IFNw-IFNAR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon alpha/beta receptor 1, Interferon alpha/beta receptor 2, ...
Authors:Thomas, C, Garcia, K.C.
Deposit date:2011-06-10
Release date:2011-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5001 Å)
Cite:Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
2Q1L
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BU of 2q1l by Molmil
Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors
Descriptor: (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
Deposit date:2007-05-24
Release date:2007-07-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
8V1L
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BU of 8v1l by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with small molecule
Descriptor: N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide, Ras GTPase-activating protein-binding protein 1
Authors:Hughes, M.P, Taylor, J.P.
Deposit date:2023-11-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Identification of small molecule inhibitors of G3BP-driven stress granule formation.
J.Cell Biol., 223, 2024
8K5R
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BU of 8k5r by Molmil
CDK9/cyclin T1 in complex with KB-0742
Descriptor: (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9
Authors:Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D.
Deposit date:2023-07-24
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
6D80
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BU of 6d80 by Molmil
Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri bound to saposin
Descriptor: CALCIUM ION, Mitochondrial calcium uniporter, Saposin A
Authors:Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C.
Deposit date:2018-04-25
Release date:2018-07-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Cryo-EM structure of a fungal mitochondrial calcium uniporter.
Nature, 559, 2018
6D7W
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BU of 6d7w by Molmil
Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri at 3.8 Angstrom resolution
Descriptor: CALCIUM ION, Mitochondrial calcium uniporter
Authors:Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C.
Deposit date:2018-04-25
Release date:2018-07-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of a fungal mitochondrial calcium uniporter.
Nature, 559, 2018
8P66
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BU of 8p66 by Molmil
Structural basis of aggregate binding/recognition by the AAA+ disaggregase ClpG
Descriptor: Clp protease ClpC,Heat shock survival AAA family ATPase ClpK, ZINC ION
Authors:Simon, B, Hennig, J, Mogk, A.
Deposit date:2023-05-25
Release date:2023-11-01
Last modified:2023-11-22
Method:SOLUTION NMR
Cite:Structural basis of aggregate binding by the AAA+ disaggregase ClpG.
J.Biol.Chem., 299, 2023

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