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3M2M
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Rat galectin-1 complex with lactose
分子名称: Galectin-1, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Lobsanov, Y.D, Rini, J.M, Leffler, H.
登録日2010-03-07
公開日2010-07-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Monovalent interactions of galectin-1.
Biochemistry, 49, 2010
3EJS
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BU of 3ejs by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5S)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine
分子名称: (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Shea, K, Rose, D.R.
登録日2008-09-18
公開日2009-10-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
6N2J
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Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C
分子名称: 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Vigers, G.P.
登録日2018-11-13
公開日2018-12-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.
ACS Med Chem Lett, 9, 2018
7OES
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BU of 7oes by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide
分子名称: 1,2-ETHANEDIOL, 1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Chung, C.
登録日2021-05-03
公開日2021-07-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Discovery of a Highly Selective BET BD2 Inhibitor from a DNA-Encoded Library Technology Screening Hit.
J.Med.Chem., 64, 2021
7OE5
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-hydroxycyclohexyl-N3-methyl-1-phenylethyl-1H-pyrazole-3,5-dicarboxamide
分子名称: 1,2-ETHANEDIOL, 3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide, Bromodomain-containing protein 2
著者Chung, C.
登録日2021-05-01
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
6N4K
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Dithionite-reduced nucleotide-free form of the nitrogenase Fe-protein from A. vinelandii
分子名称: IRON/SULFUR CLUSTER, Nitrogenase iron protein 1
著者Wenke, B.B, Spatzal, T, Rees, D.C.
登録日2018-11-19
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
4V4Y
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BU of 4v4y by Molmil
Crystal structure of the 70S Thermus thermophilus ribosome with translocated and rotated Shine-Dalgarno Duplex.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M.
登録日2006-06-27
公開日2014-07-09
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Structural basis for messenger RNA movement on the ribosome.
Nature, 444, 2006
7OE6
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide
分子名称: 1,2-ETHANEDIOL, 2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide, Bromodomain-containing protein 2
著者Chung, C.
登録日2021-05-01
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
7OE8
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BU of 7oe8 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
分子名称: (3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 2
著者Chung, C.
登録日2021-05-02
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors.
J.Med.Chem., 64, 2021
6N3E
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BU of 6n3e by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4
分子名称: FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ...
著者Loerch, S, Jenkins, J.L, Kielkopf, C.L.
登録日2018-11-15
公開日2019-01-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
7OE4
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BU of 7oe4 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-methyl-4-propionyl-1H-pyrrole-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Bromodomain-containing protein 2, ...
著者Chung, C.
登録日2021-05-01
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
7OGY
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BU of 7ogy by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ...
著者Chung, C.
登録日2021-05-07
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
7OER
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BU of 7oer by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2,2-diphenylethyl)-1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
著者Chung, C.
登録日2021-05-03
公開日2021-07-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Discovery of a Highly Selective BET BD2 Inhibitor from a DNA-Encoded Library Technology Screening Hit.
J.Med.Chem., 64, 2021
7O2W
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BU of 7o2w by Molmil
Structure of the C9orf72-SMCR8 complex
分子名称: Guanine nucleotide exchange protein SMCR8,Guanine nucleotide exchange protein SMCR8,Maltose/maltodextrin-binding periplasmic protein, Ubiquitin-like protein SMT3,Guanine nucleotide exchange C9orf72
著者Noerpel, J, Cavadini, S, Schenk, A.D, Graff-Meyer, A, Chao, J, Bhaskar, V.
登録日2021-03-31
公開日2021-07-21
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the human C9orf72-SMCR8 complex reveals a multivalent protein interaction architecture.
Plos Biol., 19, 2021
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
著者Cupelli, K, Stehle, T.
登録日2010-04-23
公開日2011-11-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
7OE9
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C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
分子名称: (3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 2
著者Chung, C.
登録日2021-05-02
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors.
J.Med.Chem., 64, 2021
7OGT
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BU of 7ogt by Molmil
Folded elbow of cohesin
分子名称: Structural maintenance of chromosomes protein 1, Structural maintenance of chromosomes protein 3
著者Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Patele, N.J, Nasmyth, K.A, Lowe, J.
登録日2021-05-07
公開日2021-07-28
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Folding of cohesin's coiled coil is important for Scc2/4-induced association with chromosomes.
Elife, 10, 2021
3MP6
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BU of 3mp6 by Molmil
Complex Structure of Sgf29 and dimethylated H3K4
分子名称: H3K4me2 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Li, J, Wu, M, Ruan, J, Zang, J.
登録日2010-04-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
6MXU
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BU of 6mxu by Molmil
Crystal structure of hemagglutinin from influenza virus A/Texas/1/1977 (H3N2)
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, Hemagglutinin, ...
著者Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-31
公開日2019-05-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of hemagglutinin from influenza virus A/Texas/1/1977 (H3N2)
To be Published
7OBW
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BU of 7obw by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with TCV-L6
分子名称: FE (III) ION, Ferric enterobactin receptor, [4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate
著者Moynie, L, Naismith, J.H.
登録日2021-04-23
公開日2021-08-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa .
Acs Infect Dis., 8, 2022
3EJR
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BU of 3ejr by Molmil
Golgi alpha-Mannosidase II in complex with 5-substitued swainsonine analog: (5R)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Shea, K, Rose, D.R.
登録日2008-09-18
公開日2009-10-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
6N3F
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BU of 6n3f by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ...
著者Leach, J.R, Jenkins, J.L, Kielkopf, C.L.
登録日2018-11-15
公開日2019-01-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
7AB0
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BU of 7ab0 by Molmil
Apo crystal structure of the MerTK kinase domain
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
7OHF
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BU of 7ohf by Molmil
Cryo-EM structure of pyrococcus furiosus apoferritin in nanofluidic channels
分子名称: Ferritin
著者Huber, S.T, Sarajlic, E, Huijink, R, Evers, W.H, Jakobi, A.J.
登録日2021-05-10
公開日2021-08-11
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Nanofluidic chips for cryo-EM structure determination from picoliter sample volumes.
Elife, 11, 2022
7OM8
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Beta2 appendage domain of AP2 bound to terminal domains beneath the hub of the 28 triskelia mini clathrin coat complex, class 15
分子名称: AP-2 complex subunit beta, Clathrin heavy chain
著者Smith, S.M, Smith, C.J.
登録日2021-05-21
公開日2021-08-11
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (10.5 Å)
主引用文献Multi-modal adaptor-clathrin contacts drive coated vesicle assembly.
Embo J., 40, 2021

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