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PDB: 53266 件

8ROP
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Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Murdolo, L.D, Maddumage, J.C, Gras, S.
登録日2024-01-12
公開日2024-05-08
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
8GJG
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De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: gluc_A04_0005, gluc_A04_0005 Binder
著者Leung, P.J.Y, Bera, A.K, Torres, S.V, Baker, D, Kang, A.
登録日2023-03-15
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
4EZE
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Crystal structure of had family hydrolase t0658 from Salmonella enterica subsp. enterica serovar Typhi (Target EFI-501419)
分子名称: CHLORIDE ION, Haloacid dehalogenase-like hydrolase, SODIUM ION
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-05-02
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of had hydrolase t0658 from Salmonella enterica (Target EFI-501419)
To be Published
4V0C
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Crystal Structure of the Kv7.1 proximal C-terminal Domain in Complex with Calmodulin
分子名称: CALCIUM ION, CALMODULIN, POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY KQT MEMBER 1, ...
著者Sachyani, D, Hirsch, J.A.
登録日2014-09-14
公開日2014-11-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural Basis of a Kv7.1 Potassium Channel Gating Module: Studies of the Intracellular C-Terminal Domain in Complex with Calmodulin.
Structure, 22, 2014
4O4K
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BU of 4o4k by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one, Exonuclease, putative, ...
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-18
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
5DI4
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BU of 5di4 by Molmil
Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-WT ribozyme in Mn2+ at low pH
分子名称: 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER)
著者Mir, A, Chen, J, Neau, D, Golden, B.L.
登録日2015-08-31
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.948 Å)
主引用文献Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
5DI2
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Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-WT ribozyme in Mn2+ at high pH
分子名称: 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER)
著者Mir, A, Chen, J, Neau, D, Golden, B.L.
登録日2015-08-31
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
1VJK
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Putative molybdopterin converting factor, subunit 1 from Pyrococcus furiosus, Pfu-562899-001
分子名称: molybdopterin converting factor, subunit 1
著者Chen, L, Liu, Z.J, Tempel, W, Shah, A, Lee, D, Rose, J.P, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-03-10
公開日2004-08-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Putative molybdopterin converting factor, subunit 1 from Pyrococcus furiosus, Pfu-562899-001 '
To be published
2FTL
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BU of 2ftl by Molmil
Crystal structure of trypsin complexed with BPTI at 100K
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
著者Hanson, W.M, Horvath, M.P, Goldenberg, D.P.
登録日2006-01-24
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Rigidification of a Flexible Protease Inhibitor Variant upon Binding to Trypsin.
J.Mol.Biol., 366, 2007
6WWC
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BU of 6wwc by Molmil
Vaccine-elicited mouse FP-targeting neutralizing antibody vFP16.02 with S48K mutation in light chain in complex with HIV fusion peptide (residue 512-519)
分子名称: fusion peptide, vFP16.02 antibody heavy chain, vFP16.02 antibody light chain
著者Xu, K, Wang, Y, Kwong, P.D.
登録日2020-05-09
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.563 Å)
主引用文献Mutational fitness landscapes reveal genetic and structural improvement pathways for a vaccine-elicited HIV-1 broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 118, 2021
6DY0
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BU of 6dy0 by Molmil
Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to beta-lactam inhibitor ARN726, in presence of Triton X-100
分子名称: (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ...
著者Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
登録日2018-07-01
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.014 Å)
主引用文献Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5DH6
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BU of 5dh6 by Molmil
Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mg2+
分子名称: 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MAGNESIUM ION, hammerhead ribozyme
著者Mir, A, Chen, J, Neau, D, Golden, B.L.
登録日2015-08-29
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.784 Å)
主引用文献Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
2XQ7
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BU of 2xq7 by Molmil
Pentameric ligand gated ion channel GLIC in complex with cadmium ion (Cd2+)
分子名称: CADMIUM ION, GLR4197 PROTEIN
著者Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R.
登録日2010-09-01
公開日2010-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
6D5P
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BU of 6d5p by Molmil
Hexagonal thermolysin cryocooled to 100 K with 20% xylose as cryoprotectant
分子名称: CALCIUM ION, LYSINE, Thermolysin, ...
著者Juers, D.H.
登録日2018-04-19
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.00010872 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
2XQ3
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BU of 2xq3 by Molmil
Pentameric ligand gated ion channel GLIC in complex with Br-lidocaine
分子名称: BROMIDE ION, GLR4197 PROTEIN
著者Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R.
登録日2010-09-01
公開日2010-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
5VLV
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BU of 5vlv by Molmil
The apo form of the triclocarban-binding single domain camelid nanobody VHH T9
分子名称: Single Domain Camelid Nanobody VHH T9
著者Tabares-da Rosa, S, Gonzalez-Sapienza, G, Wilson, D.K.
登録日2017-04-26
公開日2018-05-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure and specificity of several triclocarban-binding single domain camelid antibody fragments.
J. Mol. Recognit., 32, 2019
4NYA
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BU of 4nya by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with 5-(azidomethyl)-2-methylpyrimidin-4-amine
分子名称: 5-(azidomethyl)-2-methylpyrimidin-4-amine, MAGNESIUM ION, thiM TPP riboswitch
著者Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R.
登録日2013-12-10
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
7RQ6
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BU of 7rq6 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with non-neutralizing NTD-directed CV3-13 Fab isolated from convalescent individual
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CV3-13 Fab heavy chain, ...
著者Chen, Y, Pozharski, E, Tolbert, W.D, Pazgier, M.
登録日2021-08-05
公開日2022-04-20
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献A Fc-enhanced NTD-binding non-neutralizing antibody delays virus spread and synergizes with a nAb to protect mice from lethal SARS-CoV-2 infection.
Cell Rep, 38, 2022
5VNR
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BU of 5vnr by Molmil
X-ray structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ...
著者Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
登録日2017-05-01
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
7R40
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BU of 7r40 by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the 87G7 antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 87G7 heavy chain variable region, ...
著者Hurdiss, D.L.
登録日2022-02-08
公開日2022-04-20
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献An ACE2-blocking antibody confers broad neutralization and protection against Omicron and other SARS-CoV-2 variants of concern.
Sci Immunol, 7, 2022
4EZH
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BU of 4ezh by Molmil
the crystal structure of KDM6B bound with H3K27me3 peptide
分子名称: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Cheng, Z.J, Patel, D.J.
登録日2012-05-02
公開日2012-08-08
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
6R0C
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BU of 6r0c by Molmil
Human-D02 Nucleosome Core Particle with biotin-streptavidin label
分子名称: DNA (142-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ...
著者Pye, V.E, Wilson, M.D, Cherepanov, P, Costa, A.
登録日2019-03-12
公開日2019-09-25
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer.
Nat Commun, 10, 2019
5L2N
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BU of 5l2n by Molmil
Structure of ALDH1A1 in complex with BUC25
分子名称: 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate, CHLORIDE ION, Retinal dehydrogenase 1, ...
著者Buchman, C.D, Hurley, T.D.
登録日2016-08-02
公開日2017-03-08
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
5DVR
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BU of 5dvr by Molmil
Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
分子名称: 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC)
登録日2015-09-21
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
to be published
5DMH
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Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Uncharacterized protein conserved in bacteria
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-09-08
公開日2015-10-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP.
To be published

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件を2024-09-04に公開中

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