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8TN1
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BU of 8tn1 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - apo
Descriptor: De novo designed 4 helix bundles, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNB
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BU of 8tnb by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib
Descriptor: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNC
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BU of 8tnc by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TND
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BU of 8tnd by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN6
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BU of 8tn6 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib
Descriptor: De novo designed protein, Rucaparib
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
2IHM
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BU of 2ihm by Molmil
Polymerase mu in ternary complex with gapped 11mer DNA duplex and bound incoming nucleotide
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', 5'-D(*CP*GP*GP*CP*AP*AP*TP*AP*CP*TP*G)-3', ...
Authors:Moon, A.F, Pedersen, L.C, Kunkel, T.A.
Deposit date:2006-09-26
Release date:2006-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the substrate specificity of DNA Polymerase mu.
Nat.Struct.Mol.Biol., 14, 2007
2ID5
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BU of 2id5 by Molmil
Crystal Structure of the Lingo-1 Ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine rich repeat neuronal 6A, ...
Authors:Mosyak, L, Wood, A, Dwyer, B, Johnson, M, Stahl, M.L, Somers, W.S.
Deposit date:2006-09-14
Release date:2006-09-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:The structure of the Lingo-1 ectodomain, a module implicated in central nervous system repair inhibition.
J.Biol.Chem., 281, 2006
8H0Z
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BU of 8h0z by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
5Z8N
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BU of 5z8n by Molmil
Crystal structure of Arabidopsis thaliana EBS C-terminal deletion construct in complex with an H3K4me2 peptide
Descriptor: Chromatin remodeling protein EBS, H3K4me2 peptide, ZINC ION
Authors:Yang, Z, Du, J.
Deposit date:2018-01-31
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis.
Nat. Genet., 50, 2018
5Z8L
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BU of 5z8l by Molmil
crystal structure of Arabidopsis thaliana EBS in complex with an H3K27me3 peptide
Descriptor: Chromatin remodeling protein EBS, H3K27me3 peptide, ZINC ION
Authors:Yang, Z, Du, J.
Deposit date:2018-01-31
Release date:2018-07-25
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis.
Nat. Genet., 50, 2018
7L4C
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BU of 7l4c by Molmil
Crystal structure of the DRM2-CTT DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*TP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-18
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4K
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BU of 7l4k by Molmil
Crystal structure of the DRM2-CCG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4H
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BU of 7l4h by Molmil
Crystal structure of the DRM2-CTG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*TP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*AP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4N
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BU of 7l4n by Molmil
Crystal structure of the DRM2 (C397R)-CCG DNA complex
Descriptor: DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4M
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BU of 7l4m by Molmil
Crystal structure of the DRM2-CCT DNA complex
Descriptor: DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*CP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
7L4F
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BU of 7l4f by Molmil
Crystal structure of the DRM2-CAT DNA complex
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*AP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*TP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), ...
Authors:Fang, J, Song, J.
Deposit date:2020-12-19
Release date:2021-08-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
5V5W
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BU of 5v5w by Molmil
Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges
Descriptor: MAM domain-containing glycosylphosphatidylinositol anchor protein 1, SULFATE ION
Authors:Machius, M, Gangwar, S.P, Rudenko, G.
Deposit date:2017-03-15
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges.
Neuron, 94, 2017
5V5V
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BU of 5v5v by Molmil
Complex of NLGN2 with MDGA1 Ig1-Ig2
Descriptor: MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2
Authors:Gangwar, S.P, Machius, M, Rudenko, G.
Deposit date:2017-03-15
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.11 Å)
Cite:Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges.
Neuron, 94, 2017
5VIF
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BU of 5vif by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
5VIE
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BU of 5vie by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
8T1U
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BU of 8t1u by Molmil
Crystal structure of the DRM2-CTA DNA complex
Descriptor: DNA (5'-D(P*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*AP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*AP*TP*TP*TP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ...
Authors:Chen, J, Lu, J, Song, J.
Deposit date:2023-06-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:DNA conformational dynamics in the context-dependent non-CG CHH methylation by plant methyltransferase DRM2.
J.Biol.Chem., 299, 2023
4E3C
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BU of 4e3c by Molmil
X-ray crystal structure of human IKK2 in an active conformation
Descriptor: Inhibitor of nuclear factor kappa-B kinase subunit beta
Authors:Polley, S, Huang, D.B, Hauenstein, A.V, Ghosh, G, Huxford, T.
Deposit date:2012-03-09
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:X-ray crystal structure of human IKK2 in an active conformation
Plos.Biol., 2013
4FSX
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BU of 4fsx by Molmil
crystal structure of Se-substituted Zea mays ZMET2 in complex with SAH
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Du, J, Patel, D.J.
Deposit date:2012-06-27
Release date:2012-10-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
4FT4
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BU of 4ft4 by Molmil
crystal structure of Zea mays ZMET2 in complex H3(1-32)K9me2 peptide and SAH
Descriptor: DNA (cytosine-5)-methyltransferase 1, H3(1-32)K9me2 peptide, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Du, J, Patel, D.J.
Deposit date:2012-06-27
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
8H15
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BU of 8h15 by Molmil
Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.14182 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023

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數據於2024-05-29公開中

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