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2HMO
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Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to 3-Nitrotoluene.
分子名称: 1,2-ETHANEDIOL, 3-NITROTOLUENE, FE (III) ION, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
2HMK
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Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Phenanthrene
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
3TJH
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BU of 3tjh by Molmil
42F3-p3A1/H2-Ld complex
分子名称: 42F3 alpha, 42F3 beta, H2-Ld SBM2, ...
著者Adams, J.J, Kruse, A, Kranz, D.M, Garcia, K.C.
登録日2011-08-24
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
2DD1
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Three consecutive sheared GA pairs in 5'GGUGGAGGCU/3'PCCAAAGCCG
分子名称: 5'-R(*GP*CP*CP*GP*AP*AP*AP*CP*CP*(P5P))-3', 5'-R(*GP*GP*UP*GP*GP*AP*GP*GP*CP*U)-3'
著者Chen, G, Kennedy, S.D, Krugh, T.R, Turner, D.H.
登録日2006-01-19
公開日2006-06-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献An Alternating Sheared AA Pair and Elements of Stability for a Single Sheared Purine-Purine Pair Flanked by Sheared GA Pairs in RNA
Biochemistry, 45, 2006
3PBB
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BU of 3pbb by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with PBD150
分子名称: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Huang, K.F, Liaw, S.S, Huang, W.L, Chia, C.Y, Lo, Y.C, Chen, Y.L, Wang, A.H.J.
登録日2010-10-20
公開日2011-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of human Golgi-resident glutaminyl cyclase and its complexes with inhibitors reveal a large loop movement upon inhibitor binding
J.Biol.Chem., 286, 2011
4I7N
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BU of 4i7n by Molmil
T4 Lysozyme L99A/M102H with 1-phenyl-2-propyn-1-ol bound
分子名称: (1R)-1-phenylprop-2-yn-1-ol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
5DLY
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BU of 5dly by Molmil
Crystal structure of the plantazolicin methyltransferase BamL in complex with monoazolic desmethylPZN analog and SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, plantazolicin methyltransferase BamL, prop-2-en-1-yl 2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate
著者Hao, Y, Nair, S.K.
登録日2015-09-07
公開日2015-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
ACS Chem. Biol., 10, 2015
7ZXU
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BU of 7zxu by Molmil
SARS-CoV-2 Omicron BA.4/5 RBD in complex with Beta-27 Fab and C1 nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-27 heavy chain, Beta-27 light chain, ...
著者Huo, J, Zhou, D, Ren, J, Stuart, D.I.
登録日2022-05-23
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Antibody escape of SARS-CoV-2 Omicron BA.4 and BA.5 from vaccine and BA.1 serum.
Cell, 185, 2022
2R55
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BU of 2r55 by Molmil
Human StAR-related lipid transfer protein 5
分子名称: StAR-related lipid transfer protein 5
著者Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
登録日2007-09-03
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
3P0C
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BU of 3p0c by Molmil
Nischarin PX-domain
分子名称: GLYCEROL, Nischarin
著者Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Welin, M, Weigelt, J, Nordlund, P, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-09-28
公開日2010-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Crystal structure of Nischarin PX-domain
to be published
2HMN
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BU of 2hmn by Molmil
Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene.
分子名称: 1,2-ETHANEDIOL, ANTHRACENE, FE (III) ION, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
8A4Y
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BU of 8a4y by Molmil
SARS-CoV-2 non-structural protein-1 (nsp1) in complex with N-(2,3-dihydro-1H-inden-5-yl)acetamide
分子名称: Host translation inhibitor nsp1, N-(2,3-dihydro-1H-inden-5-yl)acetamide
著者Borsatto, A, Galdadas, I, Ma, S, Damfo, S, Haider, S, Kozielski, F, Estarellas, C, Gervasio, F.L.
登録日2022-06-13
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.099 Å)
主引用文献Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other beta-coronaviruses by simulations and crystallography.
Elife, 11, 2022
3P3R
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BU of 3p3r by Molmil
Transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
分子名称: (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2010-10-05
公開日2011-08-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity.
Sci Transl Med, 3, 2011
8A55
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Structure of N-terminal SARS-CoV-2 nonstructural protein 1 (nsp1) at atomic resolution
分子名称: Host translation inhibitor nsp1
著者Ma, S, Pinotsis, N, Bowler, M.W, Kozielski, F.
登録日2022-06-14
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
4I7O
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BU of 4i7o by Molmil
T4 Lysozyme L99A/M102H with 2-amino-5-chlorothiazole bound
分子名称: 2-HYDROXYETHYL DISULFIDE, 5-chloro-1,3-thiazol-2-amine, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4I7M
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BU of 4i7m by Molmil
T4 Lysozyme L99A/M102H with 2-allylphenol bound
分子名称: 2-ALLYLPHENOL, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
2I17
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Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
登録日2006-08-13
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
5ECE
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BU of 5ece by Molmil
Tankyrase 1 with Phthalazinone 1
分子名称: 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ...
著者Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D.
登録日2015-10-20
公開日2015-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
5DZX
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BU of 5dzx by Molmil
Protocadherin beta 6 extracellular cadherin domains 1-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin beta 6, ...
著者Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
登録日2015-09-26
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.879 Å)
主引用文献Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
2BV1
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Regulator of G-protein Signalling 1 (Human)
分子名称: REGULATOR OF G-PROTEIN SIGNALLING 1
著者Elkins, J.M, Yang, X, Soundararajan, M, Schoch, G.A, Haroniti, A, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A.
登録日2005-06-20
公開日2005-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc. Natl. Acad. Sci. U.S.A., 105, 2008
2I16
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Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
登録日2006-08-13
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
2BY9
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Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY8
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Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY5
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BU of 2by5 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2C5K
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BU of 2c5k by Molmil
N-terminal domain of tlg1 complexed with N-terminus of vps51
分子名称: SULFATE ION, T-SNARE AFFECTING A LATE GOLGI COMPARTMENT PROTEIN 1, VACUOLAR PROTEIN SORTING PROTEIN 51
著者Fridmann-Sirkis, Y, Kent, H.M, Lewis, M.J, Evans, P.R, Pelham, H.R.B.
登録日2005-10-27
公開日2006-01-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Analysis of the Interaction between the Snare Tlg1 and Vps51.
Traffic, 7, 2006

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