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PDB: 145 results

7MLQ
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X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26)
Descriptor: 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ...
Authors:Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-04-28
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
6VK4
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Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (II) ION, ...
Authors:Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2020-01-18
Release date:2020-08-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
1Z1B
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BU of 1z1b by Molmil
Crystal structure of a lambda integrase dimer bound to a COC' core site
Descriptor: 26-MER DNA, 29-MER DNA, 5'-D(*CP*T*CP*GP*TP*TP*CP*AP*GP*CP*TP*TP*TP*TP*TP*T)-3', ...
Authors:Biswas, T, Aihara, H, Radman-Livaja, M, Filman, D, Landy, A, Ellenberger, T.
Deposit date:2005-03-03
Release date:2005-06-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:A structural basis for allosteric control of DNA recombination by lambda integrase.
Nature, 435, 2005
8E5E
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BU of 8e5e by Molmil
Crystal structure of double-stranded DNA deaminase toxin DddA in complex with DNA with the target cytosine flipped into the active site
Descriptor: DNA (5'-D(*GP*CP*AP*AP*CP*GP*TP*CP*CP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*CP*GP*GP*AP*CP*GP*TP*TP*GP*C)-3'), Double-stranded DNA deaminase toxin A, ...
Authors:Yin, L, Shi, K, Aihara, H.
Deposit date:2022-08-21
Release date:2023-05-24
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis of sequence-specific cytosine deamination by double-stranded DNA deaminase toxin DddA.
Nat.Struct.Mol.Biol., 30, 2023
5EJK
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BU of 5ejk by Molmil
Crystal structure of the Rous sarcoma virus intasome
Descriptor: DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*T)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*CP*TP*C)-3'), ...
Authors:Yin, Z, Shi, K, Banerjee, S, Aihara, H.
Deposit date:2015-11-02
Release date:2016-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of the Rous sarcoma virus intasome.
Nature, 530, 2016
7UFK
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BU of 7ufk by Molmil
Crystal structure of chimeric omicron RBD (strain BA.2) complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F.
Deposit date:2022-03-22
Release date:2022-10-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UFL
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BU of 7ufl by Molmil
Crystal structure of chimeric omicron RBD (strain BA.2) complexed with chimeric mouse ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F.
Deposit date:2022-03-22
Release date:2022-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
6P7B
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Crystal structure of Fowlpox virus resolvase and substrate Holliday junction DNA complex
Descriptor: DNA (29-MER), Holliday junction resolvase
Authors:Li, N, Shi, K, Rao, T, Banerjee, S, Aihara, H.
Deposit date:2019-06-05
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.317 Å)
Cite:Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
5WFY
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BU of 5wfy by Molmil
Crystal structure of DNA-binding domain of the bacteriophage T4 ligase
Descriptor: DNA ligase, GLYCEROL
Authors:Shi, K, Aihara, H.
Deposit date:2017-07-13
Release date:2018-09-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:T4 DNA ligase structure reveals a prototypical ATP-dependent ligase with a unique mode of sliding clamp interaction.
Nucleic Acids Res., 46, 2018
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
Descriptor: (S)-hydroxynitrile lyase
Authors:Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
Deposit date:2022-10-19
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:to be published
To Be Published
5CQK
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BU of 5cqk by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B
Descriptor: DNA dC->dU-editing enzyme APOBEC-3B, GLYCEROL, SODIUM ION, ...
Authors:Shi, K, Kurahashi, K, Aihara, H.
Deposit date:2015-07-21
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain.
J.Biol.Chem., 290, 2015
5CQH
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BU of 5cqh by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Shi, K, Kurahashi, K, Aihara, H.
Deposit date:2015-07-21
Release date:2015-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain.
J.Biol.Chem., 290, 2015
5CQD
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BU of 5cqd by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B
Descriptor: DNA dC->dU-editing enzyme APOBEC-3B, GLYCEROL, ZINC ION
Authors:Shi, K, Kurahashi, K, Aihara, H.
Deposit date:2015-07-21
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain.
J.Biol.Chem., 290, 2015
8E14
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BU of 8e14 by Molmil
Cryo-EM structure of Rous sarcoma virus strand transfer complex
Descriptor: DNA (42-MER), DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*TP*CP*TP*TP*CP*TP*TP*TP*C)-3'), ...
Authors:Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P.
Deposit date:2022-08-09
Release date:2023-04-26
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Molecular determinants for Rous sarcoma virus intasome assemblies involved in retroviral integration.
J.Biol.Chem., 299, 2023
5CQI
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BU of 5cqi by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B
Descriptor: DNA dC-dU-editing enzyme APOBEC-3B, GLYCEROL, ZINC ION
Authors:Shi, K, Kurahashi, K, Aihara, H.
Deposit date:2015-07-21
Release date:2015-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain.
J.Biol.Chem., 290, 2015
9DK4
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BU of 9dk4 by Molmil
ancestral hydroxynitrile lyase with fifteen substitutions
Descriptor: Fifteen-substitution variant of an ancestral hydroxynitrile lyase, SODIUM ION
Authors:Sarak, S.C, Tan, P, Evans III, R.L, Shi, K, Kazlauskas, R.J, Aihara, H, Pierce, C.T, Walsh, M.E, Greenberg, L.R.
Deposit date:2024-09-07
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:To be published
To Be Published
6VK8
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BU of 6vk8 by Molmil
Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex with small organic carboxylate at active center
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
Authors:Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2020-01-18
Release date:2020-08-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
6VK5
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BU of 6vk5 by Molmil
Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, CHLORIDE ION, ...
Authors:Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2020-01-18
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
8FR5
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BU of 8fr5 by Molmil
Crystal structure of the Human Smacovirus 1 Rep domain
Descriptor: MANGANESE (II) ION, Rep, SODIUM ION
Authors:Limon, L.K, Shi, K, Dao, A, Rugloski, J, Tompkins, K.J, Aihara, H, Gordon, W.R, Evans IIII, R.L.
Deposit date:2023-01-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:The crystal structure of the human smacovirus 1 Rep domain.
Acta Crystallogr.,Sect.F, 79, 2023
6WGX
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BU of 6wgx by Molmil
Cocrystal of BRD4(D1) with a selective inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2020-04-06
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.
Angew.Chem.Int.Ed.Engl., 60, 2021
8V9Z
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BU of 8v9z by Molmil
X-ray crystal structure of JGFN4 N76D complexed with fentanyl in monomer form
Descriptor: JGFN4, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Authors:Shi, K, Moller, N, Aihara, H.
Deposit date:2023-12-10
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and biophysical characterization of a novel domain-swapped camelid antibody specific for fentanyl.
J.Biol.Chem., 300, 2024
8VJU
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BU of 8vju by Molmil
Structure of Human Neurolysin in complex with dynorphin A13 peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dynorphin A(1-13), ...
Authors:Shi, K, Aihara, H.
Deposit date:2024-01-08
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis of divergent substrate recognition and inhibition of human neurolysin.
Sci Rep, 14, 2024
8V9Y
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BU of 8v9y by Molmil
X-ray crystal structure of nanobody JGFN4
Descriptor: JGFN4
Authors:Shi, K, Moller, N, Aihara, H.
Deposit date:2023-12-10
Release date:2024-08-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Identification and biophysical characterization of a novel domain-swapped camelid antibody specific for fentanyl.
J.Biol.Chem., 300, 2024
8VJV
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BU of 8vjv by Molmil
Structure of Human Neurolysin in complex with dynorphin A8(1-8) peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dynorphin A(1-8), ...
Authors:Shi, K, Aihara, H.
Deposit date:2024-01-08
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis of divergent substrate recognition and inhibition of human neurolysin.
Sci Rep, 14, 2024
8VJW
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BU of 8vjw by Molmil
Structure of Human Neurolysin in complex with angiotensin I peptide
Descriptor: Angiotensin-1 peptide C-terminal end, Angiotensin-1 peptide N-terminal end, Neurolysin, ...
Authors:Shi, K, Aihara, H.
Deposit date:2024-01-08
Release date:2024-08-21
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Structural basis of divergent substrate recognition and inhibition of human neurolysin.
Sci Rep, 14, 2024

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