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4PNW
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BU of 4pnw by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
5CY8
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BU of 5cy8 by Molmil
Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryze, in complex with fragment 244
分子名称: (3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol, ACETATE ION, CADMIUM ION, ...
著者Ngo, H.P.T, Kang, L.W.
登録日2015-07-30
公開日2016-08-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryze, in complex with fragment 244
To Be Published
6HWA
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BU of 6hwa by Molmil
Yeast 20S proteasome in complex with 43
分子名称: (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
7MWN
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BU of 7mwn by Molmil
An engineered PYL2-based WIN 55,212-2 synthetic cannabinoid sensor with a stabilized HAB1 variant
分子名称: ACETATE ION, Abscisic acid receptor PYL2, CHLORIDE ION, ...
著者Peterson, F.C, Beltran, J, Bedewitz, M, Steiner, P.J, Cutler, S.R, Whitehead, T.A.
登録日2021-05-17
公開日2022-06-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Rapid biosensor development using plant hormone receptors as reprogrammable scaffolds.
Nat.Biotechnol., 40, 2022
6DLU
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BU of 6dlu by Molmil
Cryo-EM of the GMPPCP-bound human dynamin-1 polymer assembled on the membrane in the constricted state
分子名称: Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E.
登録日2018-06-02
公開日2018-08-01
最終更新日2024-12-25
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Cryo-EM of the dynamin polymer assembled on lipid membrane.
Nature, 560, 2018
8UET
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BU of 8uet by Molmil
In-situ complex I, Deactive class02
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8D5D
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BU of 8d5d by Molmil
Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-arginine
分子名称: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, D-ornithine/D-lysine decarboxylase, DIMETHYL SULFOXIDE, ...
著者Phillips, R.S, Nguyen Hoang, K.N.
登録日2022-06-04
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
7MAU
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BU of 7mau by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR-yne
分子名称: 1,4-DIETHYLENE DIOXIDE, 3C-like proteinase, N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide, ...
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-10-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR-yne
To Be Published
6WXU
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BU of 6wxu by Molmil
CryoEM structure of mouse DUOX1-DUOXA1 complex in the dimer-of-dimer state
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Sun, J.
登録日2020-05-12
公開日2020-09-02
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures of mouse DUOX1-DUOXA1 provide mechanistic insights into enzyme activation and regulation.
Nat.Struct.Mol.Biol., 27, 2020
5GJG
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BU of 5gjg by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4
分子名称: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-06-29
公開日2016-11-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
7MR9
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BU of 7mr9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-153
分子名称: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain-containing protein 4
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
3EJP
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BU of 3ejp by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5R)-5-[2'-oxo-2'-(phenyl)ethyl]-swainsonine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-phenyl-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, 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 (1.32 Å)
主引用文献Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
8UES
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BU of 8ues by Molmil
In-situ complex I, Deactive class01
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
8ROY
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BU of 8roy by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24
分子名称: 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
登録日2024-01-12
公開日2024-04-03
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
7WOL
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BU of 7wol by Molmil
Crystal structure of lipase TrLipB from Thermomocrobium roseum
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Zhang, L, Fang, Y, Shi, Y, Gu, Z, Xin, Y.
登録日2022-01-21
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of lipase TrLipB from Thermomocrobium roseum
To Be Published
8UEW
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BU of 8uew by Molmil
In-situ complex I, Deactive class05
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Zheng, W, Zhu, J, Zhang, K.
登録日2023-10-02
公開日2024-06-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
6TCY
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BU of 6tcy by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS555
分子名称: 1,2-ETHANEDIOL, 2-METHOXYETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
著者Stransky, J, Barinka, C.
登録日2019-11-06
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational Design of Suprastat: A Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models.
J.Med.Chem., 63, 2020
3E34
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BU of 3e34 by Molmil
Protein farnesyltransferase complexed with FPP and ethylenediamine-scaffold inhibitor 10
分子名称: 3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ...
著者Hast, M.A, Beese, L.S.
登録日2008-08-06
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
5JVD
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BU of 5jvd by Molmil
Tubulin-TUB092 complex
分子名称: (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Canela, M.-D, Noppen, S, Bueno, O, Prota, A.E, Bargsten, K, Saez-Calvo, G, Jimeno, M.-L, Benkheil, M, Ribatti, D, Velazquez, S, Camarasa, M.-J, Diaz, J.F, Steinmetz, M.O, Priego, E.-M, Perez-Perez, M.-J, Liekens, S.
登録日2016-05-11
公開日2016-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Antivascular and antitumor properties of the tubulin-binding chalcone TUB091.
Oncotarget, 8, 2017
3E49
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BU of 3e49 by Molmil
Crystal structure of a prokaryotic domain of unknown function (duf849) with a tim barrel fold (bxe_c0966) from burkholderia xenovorans lb400 at 1.75 A resolution
分子名称: 2-ETHOXYETHANOL, ACETATE ION, IMIDAZOLE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-08-11
公開日2008-08-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of prokaryotic domain of unknown function (DUF849) with a TIM barrel fold (YP_556190.1) from BURKHOLDERIA XENOVORANS LB400 at 1.75 A resolution
To be published
4ZNS
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BU of 4zns by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative
分子名称: 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
7MXR
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BU of 7mxr by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (r-2)
分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
著者Shi, Y, Beese, L.S.
登録日2021-05-19
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
8DHT
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BU of 8dht by Molmil
Crystal structure of a typeIII Rubisco
分子名称: 3-PHOSPHOGLYCERIC ACID, ACETATE ION, GLYCEROL, ...
著者Qingqiu, H.
登録日2022-06-28
公開日2022-11-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal structure of a type III Rubisco in complex with its product 3-phosphoglycerate.
Proteins, 91, 2023
7MXU
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BU of 7mxu by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (cf2)
分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
著者Shi, Y, Beese, L.S.
登録日2021-05-19
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.042 Å)
主引用文献Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
5D60
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BU of 5d60 by Molmil
Structure of Chaetomium thermophilum Skn7 coiled-coil domain, crystal form III
分子名称: Putative transcription factor
著者Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A.
登録日2015-08-11
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016

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