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7H0K
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011076-001
分子名称: 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazin-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3
著者Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
登録日2024-01-23
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
7SC7
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BU of 7sc7 by Molmil
Synechocystis PCC 6803 Phycobilisome core from up-down rod conformation
分子名称: Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ...
著者Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A.
登録日2021-09-27
公開日2022-08-31
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
8OMG
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Crystal structure of mKHK (apo)
分子名称: Ketohexokinase
著者Ebenhoch, E, Pautsch, P.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
3GQT
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BU of 3gqt by Molmil
Crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei with fragment (1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methylamine
分子名称: 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine, Glutaryl-CoA dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-24
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
7SC9
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Synechocystis PCC 6803 Phycobilisome core, complex with OCP
分子名称: Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ...
著者Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A.
登録日2021-09-27
公開日2022-08-31
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
2HMX
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HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 MATRIX PROTEIN
分子名称: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 MATRIX PROTEIN
著者Massiah, M.A, Starich, M.R, Paschall, C, Christensen, A.M, Sundquist, W.I, Summers, M.F.
登録日1995-09-22
公開日1996-01-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of the human immunodeficiency virus type 1 matrix protein.
J.Mol.Biol., 244, 1994
7A9E
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BU of 7a9e by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone
分子名称: 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ...
著者Nguyen, D, You, S, Heine, A, Klebe, G.
登録日2020-09-01
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
5JXG
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BU of 5jxg by Molmil
Structure of the unliganded form of the proprotein convertase furin.
分子名称: CALCIUM ION, CHLORIDE ION, Furin, ...
著者Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
登録日2016-05-13
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
7S01
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BU of 7s01 by Molmil
X-ray structure of the phage AR9 non-virion RNA polymerase holoenzyme in complex with a forked oligonucleotide containing the P077 promoter
分子名称: DNA-directed RNA polymerase, DNA-directed RNA polymerase beta subunit, DNA-directed RNA polymerase beta' subunit, ...
著者Leiman, P.G, Sokolova, M.L, Gordeeva, J, Fraser, A, Severinov, K.V.
登録日2021-08-28
公開日2022-07-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis of template strand deoxyuridine promoter recognition by a viral RNA polymerase.
Nat Commun, 13, 2022
8P24
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BU of 8p24 by Molmil
The crystal structure of the C-terminal domain of Mengla nucleoprotein
分子名称: Nucleoprotein
著者Ferrero, D.S, Tomas Gilabert, O, Verdaguer, N.
登録日2023-05-14
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.73 Å)
主引用文献Structural insights on the nucleoprotein C-terminal domain of Mengla virus.
Microbiol Spectr, 11, 2023
2YCJ
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BU of 2ycj by Molmil
methyltransferase bound with methyltetrahydrofolate
分子名称: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-METHYLTETRAHYDROFOLATE CORRINOID/IRON SULFUR PROTEIN METHYLTRANSFERASE, GLYCEROL, ...
著者Goetzl, S, Jeoung, J.-H, Hennig, S.E, Dobbek, H.
登録日2011-03-16
公開日2011-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Basis for Electron and Methyl-Group Transfer in a Methyltransferase System Operating in the Reductive Acetyl-Coa Pathway
J.Mol.Biol., 411, 2011
3GVL
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BU of 3gvl by Molmil
Crystal Structure of endo-neuraminidaseNF
分子名称: Endo-N-acetylneuraminidase, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid, N-acetyl-beta-neuraminic acid
著者Schulz, E.C, Dickmanns, A, Ficner, R.
登録日2009-03-31
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural basis for the recognition and cleavage of polysialic acid by the bacteriophage K1F tailspike protein EndoNF.
J.Mol.Biol., 397, 2010
5JZQ
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BU of 5jzq by Molmil
Ultrahigh-resolution centrosymmetric crystal structure of Z-DNA reveals massive presence of multiple conformations
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Drozdzal, P, Gilski, M, Jaskolski, M.
登録日2016-05-17
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Ultrahigh-resolution centrosymmetric crystal structure of Z-DNA reveals the massive presence of alternate conformations.
Acta Crystallogr D Struct Biol, 72, 2016
2HHB
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BU of 2hhb by Molmil
THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS RESOLUTION
分子名称: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PHOSPHATE ION, ...
著者Fermi, G, Perutz, M.F.
登録日1984-03-07
公開日1984-07-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The crystal structure of human deoxyhaemoglobin at 1.74 A resolution
J.Mol.Biol., 175, 1984
7D6L
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BU of 7d6l by Molmil
Crystal structure of Trx2 from D. radiodurans R1
分子名称: Thioredoxin 2, ZINC ION
著者Kim, M.-K, Zhang, J, Zhao, L.
登録日2020-09-30
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Structural and Biochemical Characterization of Thioredoxin-2 from Deinococcus radiodurans.
Antioxidants, 10, 2021
5JZY
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Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2016-05-17
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
8OYL
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BU of 8oyl by Molmil
Coiled-Coil Domain of Human STIL, Q729L Mutant
分子名称: CADMIUM ION, CHLORIDE ION, SCL-interrupting locus protein, ...
著者Martin, F.J.O, Shamir, M, Woolfson, D.N, Friedler, A.
登録日2023-05-05
公開日2023-10-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Molecular Mechanism of STIL Coiled-Coil Domain Oligomerization.
Int J Mol Sci, 24, 2023
2Y9X
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Crystal structure of PPO3, a tyrosinase from Agaricus bisporus, in deoxy-form that contains additional unknown lectin-like subunit, with inhibitor tropolone
分子名称: 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, COPPER (II) ION, HOLMIUM ATOM, ...
著者Ismaya, W.T, Rozeboom, H.J, Weijn, A, Mes, J.J, Fusetti, F, Wichers, H.J, Dijkstra, B.W.
登録日2011-02-17
公開日2011-07-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Crystal Structure of Agaricus Bisporus Mushroom Tyrosinase: Identity of the Tetramer Subunits and Interaction with Tropolone.
Biochemistry, 50, 2011
7SDN
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[C:Ag+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.32 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
8P10
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BU of 8p10 by Molmil
The crystal structure of the C-terminal domain of Mengla nucleoprotein
分子名称: ALA-ALA-GLY-ALA-ALA-ALA-ALA-ALA-ALA-ALA, Nucleoprotein
著者Ferrero, D.S, Tomas Gilabert, O, Verdaguer, N.
登録日2023-05-11
公開日2023-10-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Structural insights on the nucleoprotein C-terminal domain of Mengla virus.
Microbiol Spectr, 11, 2023
2YUX
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Solution Structure of 3rd Fibronectin type three Domain of slow type Myosin-Binding Protein C
分子名称: Myosin-binding protein C, slow-type
著者Niraula, T.N, Tochio, N, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-06
公開日2008-04-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of 3rd Fibronectin type three Domain of slow type Myosin-Binding Protein C
To be Published
7SDT
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BU of 7sdt by Molmil
[iU:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(5IU)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7A3F
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BU of 7a3f by Molmil
Crystal structure of apo DPP9
分子名称: Dipeptidyl peptidase 9, GLYCEROL, PHOSPHATE ION
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
7DNJ
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K63-polyUb MDA5CARDs complex
分子名称: Interferon-induced helicase C domain-containing protein 1, Ubiquitin
著者Song, B, Chen, Y, Luo, D.H, Zheng, J.
登録日2020-12-09
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ordered assembly of the cytosolic RNA-sensing MDA5-MAVS signaling complex via binding to unanchored K63-linked poly-ubiquitin chains.
Immunity, 54, 2021
7H00
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011221-001
分子名称: (4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3
著者Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
登録日2024-01-23
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published

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