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7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
6U00
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BU of 6u00 by Molmil
Crystal Structure of Fungal RNA Kinase
Descriptor: PHOSPHATE ION, tRNA ligase
Authors:Shuman, S, Goldgur, Y, Banerjee, A.
Deposit date:2019-08-13
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
8GRJ
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BU of 8grj by Molmil
Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone
Descriptor: D-glucono-1,5-lactone, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yoshida, H, Kojima, K, Tsugawa, W, Okuda-Shimazaki, J, Kerrigan, J.A, Sode, K.
Deposit date:2022-09-01
Release date:2023-09-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Improvement of substrate specificity of the direct electron transfer type FAD-dependent glucose dehydrogenase catalytic subunit.
J.Biotechnol., 2024
6U05
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BU of 6u05 by Molmil
Crystal Structure of Fungal RNA Kinase
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Shuman, S, Goldgur, Y, Banerjee, A.
Deposit date:2019-08-13
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
7R70
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BU of 7r70 by Molmil
Crystal Structure of the UbArk2C fusion protein
Descriptor: GLYCEROL, Ubiquitin,E3 ubiquitin-protein ligase RNF165, ZINC ION
Authors:Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L.
Deposit date:2021-06-24
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
9M3N
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BU of 9m3n by Molmil
Crystal structure of human TRIM21 PRYSPRY in complex with T-02
Descriptor: 1-ethyl-~{N}-methyl-5-phenyl-~{N}-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazole-4-carboxamide, E3 ubiquitin-protein ligase TRIM21
Authors:Zhang, L.J, Zhang, L.Y.
Deposit date:2025-03-03
Release date:2025-07-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:TRIM21-Driven Degradation of BRD4: Development of Heterobifunctional Degraders and Investigation of Recruitment and Selectivity Mechanisms.
J.Chem.Inf.Model., 2025
6TZO
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BU of 6tzo by Molmil
Crystal Structure of Fungal RNA Kinase
Descriptor: 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, tRNA ligase
Authors:Shuman, S, Goldgur, Y, Banerjee, A.
Deposit date:2019-08-12
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
7QRX
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BU of 7qrx by Molmil
Crystal structure of NHL domain of TRIM71
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM71
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-12
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
3PZC
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BU of 3pzc by Molmil
Crystal structure of class II aaRS homologue (Bll0957) complexed with Coenzyme A
Descriptor: ACETATE ION, Amino acid--[acyl-carrier-protein] ligase 1, COENZYME A, ...
Authors:Weygand-Durasevic, I, Luic, M, Mocibob, M, Ivic, N, Subasic, D.
Deposit date:2010-12-14
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate Recognition by Novel Family of Amino Acid:[Carrier Protein] Ligases
Croatica Chemica Acta, 84, 2011
2VUG
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BU of 2vug by Molmil
The structure of an archaeal homodimeric RNA ligase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PAB1020, ...
Authors:Brooks, M.A, Meslet-Cladiere, L, Graille, M, Kuhn, J, Blondeau, K, Myllykallio, H, van Tilbeurgh, H.
Deposit date:2008-05-26
Release date:2008-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of an archaeal homodimeric ligase which has RNA circularization activity.
Protein Sci., 17, 2008
6TZM
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BU of 6tzm by Molmil
Crystal Structure of Fungal RNA Kinase
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, tRNA ligase
Authors:Shuman, S, Goldgur, Y, Banerjee, A.
Deposit date:2019-08-12
Release date:2019-11-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.714 Å)
Cite:Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
3PT3
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BU of 3pt3 by Molmil
Crystal structure of the C-terminal lobe of the human UBR5 HECT domain
Descriptor: E3 ubiquitin-protein ligase UBR5
Authors:Matta-Camacho, E, Kozlov, G, Menade, M, Gehring, K.
Deposit date:2010-12-02
Release date:2012-01-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of the HECT C-lobe of the UBR5 E3 ubiquitin ligase.
Acta Crystallogr.,Sect.F, 68, 2012
4EGP
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BU of 4egp by Molmil
The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, GLYCEROL, ...
Authors:Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L.
Deposit date:2012-03-31
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
4TRH
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BU of 4trh by Molmil
The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling
Descriptor: SidC
Authors:Hsu, F.S, Luo, X, Qiu, J, Teng, Y, Jin, J, Smolka, M.B, Luo, Z.Q, Mao, Y.
Deposit date:2014-06-16
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling.
Proc.Natl.Acad.Sci.USA, 111, 2014
2A0Z
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BU of 2a0z by Molmil
The molecular structure of toll-like receptor 3 ligand binding domain
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bell, J.K, Botos, I, Hall, P.R, Askins, J, Shiloach, J, Segal, D.M, Davies, D.R.
Deposit date:2005-06-17
Release date:2005-08-02
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular structure of the Toll-like receptor 3 ligand-binding domain
Proc.Natl.Acad.Sci.USA, 102, 2005
3NIH
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BU of 3nih by Molmil
The structure of UBR box (RIAAA)
Descriptor: E3 ubiquitin-protein ligase UBR1, Peptide RIAAA, ZINC ION
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
3E5N
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BU of 3e5n by Molmil
Crystal structure of D-alanine-D-alanine ligase from Xanthomonas oryzae pv. oryzae KACC10331
Descriptor: D-alanine-D-alanine ligase A
Authors:Doan, T.N.T, Kim, J.K, Kim, H.S, Ahn, Y.J, Kim, J.G, Lee, B.M, Kang, L.W.
Deposit date:2008-08-14
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of D-alanine-D-alanine ligase from Xanthomonas oryzae pv. oryzae KACC10331
To be published
4A0K
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BU of 4a0k by Molmil
STRUCTURE OF DDB1-DDB2-CUL4A-RBX1 BOUND TO A 12 BP ABASIC SITE CONTAINING DNA-DUPLEX
Descriptor: 12 BP DNA, 12 BP THF CONTAINING DNA, CULLIN-4A, ...
Authors:Fischer, E.S, Scrima, A, Gut, H, Thoma, N.H.
Deposit date:2011-09-09
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (5.93 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation.
Cell(Cambridge,Mass.), 147, 2011
3FL2
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BU of 3fl2 by Molmil
Crystal structure of the ring domain of the E3 ubiquitin-protein ligase UHRF1
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-12-18
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the Ring Domain of the E3 Ubiquitin-Protein Ligase Uhrf1
To be Published
3NIL
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BU of 3nil by Molmil
The structure of UBR box (RDAA)
Descriptor: ACETATE ION, E3 ubiquitin-protein ligase UBR1, Peptide RDAA, ...
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
3NIK
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BU of 3nik by Molmil
The structure of UBR box (REAA)
Descriptor: E3 ubiquitin-protein ligase UBR1, Peptide REAA, ZINC ION
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
3NIS
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BU of 3nis by Molmil
The structure of UBR box (native2)
Descriptor: ACETATE ION, E3 ubiquitin-protein ligase UBR1, ZINC ION
Authors:Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K.
Deposit date:2010-06-16
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases
Nat.Struct.Mol.Biol., 17, 2010
2PZD
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BU of 2pzd by Molmil
Crystal Structure of the HtrA2/Omi PDZ Domain Bound to a Phage-Derived Ligand (WTMFWV)
Descriptor: 1,2-ETHANEDIOL, Serine protease HTRA2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-05-17
Release date:2007-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and functional analysis of the ligand specificity of the HtrA2/Omi PDZ domain.
Protein Sci., 16, 2007
4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
2YZ1
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BU of 2yz1 by Molmil
Crystal structure of the ligand-binding domain of murine SHPS-1/SIRP alpha
Descriptor: Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Nakaishi, A.
Deposit date:2007-05-02
Release date:2007-12-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insight into the specific interaction between murine SHPS-1/SIRP alpha and its ligand CD47
J.Mol.Biol., 375, 2008

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數據於2025-07-16公開中

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