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6BMR
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Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP244
分子名称: 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, GLYCEROL, PHOSPHATE ION, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
5NNI
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Dimer structure of Sortilin ectodomain crystal form 2, 3.2 Angstrom
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, Sortilin, ...
著者Leloup, N.O.L, Janssen, B.J.C.
登録日2017-04-09
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
6BHE
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Crystal structure of SETDB1 with a modified H3 peptide
分子名称: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-10-30
公開日2017-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
6HHP
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Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1
分子名称: (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ...
著者Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
登録日2018-08-28
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
5N2G
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BU of 5n2g by Molmil
Structure of the E9 DNA polymerase from vaccinia virus in complex with manganese
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tarbouriech, N, Burmeister, W.P, Iseni, F.
登録日2017-02-07
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The vaccinia virus DNA polymerase structure provides insights into the mode of processivity factor binding.
Nat Commun, 8, 2017
2O1S
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BU of 2o1s by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Escherichia coli
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase, DIPHOSPHATE, MAGNESIUM ION, ...
著者Xiang, S, Usunow, G, Lange, G, Busch, M, Tong, L.
登録日2006-11-29
公開日2006-12-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of 1-Deoxy-D-xylulose 5-Phosphate Synthase, a Crucial Enzyme for Isoprenoids Biosynthesis.
J.Biol.Chem., 282, 2007
5N31
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BU of 5n31 by Molmil
Thermolysin in complex with inhibitor JC277
分子名称: (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Cramer, J, Krimmer, S.G, Heine, A, Klebe, G.
登録日2017-02-08
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.368 Å)
主引用文献Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
5N3U
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The structure of the complex of CpcE and CpcF of phycocyanin lyase from Nostoc sp. PCC7120
分子名称: Phycocyanobilin lyase subunit alpha, Phycocyanobilin lyase subunit beta
著者Hoeppner, A, Zhao, C, Xu, Q.-Z, Gaertner, W, Scheer, H, Zhao, K.-H.
登録日2017-02-09
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structures and enzymatic mechanisms of phycobiliprotein lyases CpcE/F and PecE/F.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6HKF
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BU of 6hkf by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 4
分子名称: (1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ...
著者Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
登録日2018-09-06
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
5KMD
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BU of 5kmd by Molmil
Structure of CavAb in complex with amlodipine
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ...
著者Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A.
登録日2016-06-26
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
7B4O
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BU of 7b4o by Molmil
A Bacteroidetes bacterium CuZn-superoxide dismutase with ZnZn metalation
分子名称: Superoxide dismutase [Cu-Zn], ZINC ION
著者Wright, G.S.A.
登録日2020-12-02
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Bacterial Evolutionary Precursors of Eukaryotic Copper-Zinc Superoxide Dismutases.
Mol.Biol.Evol., 38, 2021
6BMY
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BU of 6bmy by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844
分子名称: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
7B4P
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BU of 7b4p by Molmil
A Bacteroidetes bacterium CuZn-superoxide dismutase with CuZn metalation
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Wright, G.S.A.
登録日2020-12-02
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Bacterial Evolutionary Precursors of Eukaryotic Copper-Zinc Superoxide Dismutases.
Mol.Biol.Evol., 38, 2021
5LII
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BU of 5lii by Molmil
bacteriophage phi812K1-420 major capsid protein
分子名称: Major capsid protein
著者Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P.
登録日2016-07-14
公開日2017-07-19
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8BXT
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BU of 8bxt by Molmil
Structure of StayGold
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, StayGold
著者Ivorra-Molla, E, Akhuli, D, Crow, A.
登録日2022-12-09
公開日2023-07-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A monomeric StayGold fluorescent protein.
Nat.Biotechnol., 2023
1CEJ
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BU of 1cej by Molmil
SOLUTION STRUCTURE OF AN EGF MODULE PAIR FROM THE PLASMODIUM FALCIPARUM MEROZOITE SURFACE PROTEIN 1
分子名称: PROTEIN (MEROZOITE SURFACE PROTEIN 1)
著者Morgan, W.D, Birdsall, B, Frenkiel, T.A, Gradwell, M.G, Burghaus, P.A, Syed, S.E.H, Uthaipibull, C, Holder, A.A, Feeney, J.
登録日1999-03-08
公開日1999-05-28
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of an EGF module pair from the Plasmodium falciparum merozoite surface protein 1.
J.Mol.Biol., 289, 1999
6NQ3
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BU of 6nq3 by Molmil
Crystal Structure of a SUZ12-RBBP4-PHF19-JARID2 Heterotetrameric Complex
分子名称: Histone-binding protein RBBP4, PHD finger protein 19, Polycomb protein SUZ12, ...
著者Chen, S, Jiao, L, Liu, X.
登録日2019-01-19
公開日2020-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献A Dimeric Structural Scaffold for PRC2-PCL Targeting to CpG Island Chromatin.
Mol.Cell, 77, 2020
8BYE
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BU of 8bye by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075313)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-12
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
1TRB
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BU of 1trb by Molmil
CONVERGENT EVOLUTION OF SIMILAR FUNCTION IN TWO STRUCTURALLY DIVERGENT ENZYMES
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE
著者Kuriyan, J, Krishna, T.S.R.
登録日1991-09-07
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Convergent evolution of similar function in two structurally divergent enzymes.
Nature, 352, 1991
8BYB
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BU of 8byb by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074398)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-12
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
5KLB
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BU of 5klb by Molmil
Crystal structure of the CavAb voltage-gated calcium channel(wild-type, 2.7A)
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, ...
著者Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A.
登録日2016-06-23
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
5KO0
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BU of 5ko0 by Molmil
Human Islet Amyloid Polypeptide Segment 15-FLVHSSNNFGA-25 Determined by MicroED
分子名称: THIOCYANATE ION, hIAPP(15-25)WT
著者Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S.
登録日2016-06-28
公開日2016-12-21
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.4 Å)
主引用文献Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
8BWJ
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fragment-linked stabilizer for ERa - 14-3-3 interaction (1074386)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-06
公開日2023-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BWZ
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fragment-linked stabilizer for ERa - 14-3-3 interaction (1074393)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-07
公開日2023-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
5LZR
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Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase in complex with tungstate and magnesium
分子名称: K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, TUNGSTATE(VI)ION
著者Wilkinson, C, Kellosalo, J, Kajander, T, Goldman, A.
登録日2016-10-01
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism.
Nat Commun, 7, 2016

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