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7APQ
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The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
登録日2020-10-19
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
8E74
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Mycobacterium tuberculosis RNAP paused elongation complex with NusG transcription factor
分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Delbeau, M, Darst, S.A, Campbell, E.A.
登録日2022-08-23
公開日2023-03-22
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023
3E1R
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BU of 3e1r by Molmil
Midbody targeting of the ESCRT machinery by a non-canonical coiled-coil in CEP55
分子名称: Centrosomal protein of 55 kDa, Programmed cell death 6-interacting protein
著者Lee, H.H, Elia, N, Ghirlando, R, Lippincott-Schwartz, J, Hurley, J.H.
登録日2008-08-04
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Midbody targeting of the ESCRT machinery by a noncanonical coiled coil in CEP55.
Science, 322, 2008
7APW
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BU of 7apw by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
登録日2020-10-20
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
4M9S
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BU of 4m9s by Molmil
crystal structure of CED-4 bound CED-3 fragment
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ...
著者Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G.
登録日2013-08-15
公開日2013-10-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.207 Å)
主引用文献Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
6XXL
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BU of 6xxl by Molmil
Crystal Structure of Human Deoxyhypusine Synthase in complex with spermine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Wator, E, Wilk, P, Grudnik, P.
登録日2020-01-27
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020
1XPV
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BU of 1xpv by Molmil
Solution Structure of Northeast Structural Genomics Target Protein XcR50 from X. Campestris
分子名称: hypothetical protein XCC2852
著者Shao, Y, Acton, T.B, Liu, G, Ma, L, Shen, Y, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2004-10-09
公開日2004-12-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure of Northeast Structural Genomics Target Protein XcR50 from X. Campestris
To be Published
3UQR
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BU of 3uqr by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.056 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4KBO
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BU of 4kbo by Molmil
Crystal structure of the human Mortalin (GRP75) ATPase domain in the apo form
分子名称: SODIUM ION, Stress-70 protein, mitochondrial
著者Amick, J, Page, R.C, Nix, J.C, Misra, S.
登録日2013-04-23
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the nucleotide-binding domain of mortalin, the mitochondrial Hsp70 chaperone.
Protein Sci., 23, 2014
5ZMD
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BU of 5zmd by Molmil
Crystal structure of FTO in complex with m6dA modified ssDNA
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, DNA (5'-D(P*TP*CP*TP*(6MA)P*TP*AP*TP*CP*G)-3'), MANGANESE (II) ION, ...
著者Zhang, X, Wei, L.H, Luo, J, Xiao, Y, Liu, J, Zhang, W, Zhang, L, Jia, G.F.
登録日2018-04-02
公開日2019-04-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural insights into FTO's catalytic mechanism for the demethylation of multiple RNA substrates.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3G61
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BU of 3g61 by Molmil
Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding
分子名称: (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1a
著者Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G.
登録日2009-02-05
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.35 Å)
主引用文献Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
6R4M
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BU of 6r4m by Molmil
Crystal structure of S. cerevisia Niemann-Pick type C protein NPC2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylglycerol/phosphatidylinositol transfer protein
著者Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P.
登録日2019-03-22
公開日2019-09-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins.
Cell, 179, 2019
3DXJ
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BU of 3dxj by Molmil
Crystal structure of thermus thermophilus rna polymerase holoenzyme in complex with the antibiotic myxopyronin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BACTERIAL RNA POLYMERASE BETA SUBUNIT; CHAIN C, M, ...
著者Das, K, Arnold, E.
登録日2008-07-24
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The RNA polymerase "switch region" is a target for inhibitors.
Cell(Cambridge,Mass.), 135, 2008
3E1M
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BU of 3e1m by Molmil
Crystal structure of E. coli Bacterioferritin (BFR) obtained after soaking APO-BFR crystals for 2.5 minutes in FE2+ (2.5M FE(II)-BFR)
分子名称: BACTERIOFERRITIN, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Crow, A, Lawson, T, Lewin, A, Moore, G.R, Le Brun, N.
登録日2008-08-04
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for iron mineralization by bacterioferritin
J.Am.Chem.Soc., 131, 2009
1XWM
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BU of 1xwm by Molmil
The crystal structure of PhoU (phosphate uptake regulator), Structural genomics
分子名称: phosphate uptake regulator
著者Zhang, R, Dementieva, I, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-11-01
公開日2004-12-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of PhoU (phosphate uptake regulator)
To be Published
6SYW
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BU of 6syw by Molmil
human Aldose Reductase in complex with SAR25
分子名称: 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2019-10-01
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献human Aldose Reductase in complex with SAR25
To Be Published
4KIC
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BU of 4kic by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-methionine and phenylpyruvic acid
分子名称: (2R)-2-hydroxy-3-phenylpropanoic acid, 3-PHENYLPYRUVIC ACID, CALCIUM ION, ...
著者Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
登録日2013-05-02
公開日2014-05-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
7SK3
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BU of 7sk3 by Molmil
Cryo-EM structure of ACKR3 in complex with CXCL12, an intracellular Fab, and an extracellular Fab
分子名称: Atypical chemokine receptor 3, CHOLESTEROL, CID24 Fab heavy chain, ...
著者Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G.
登録日2021-10-19
公開日2022-07-27
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
1HRS
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BU of 1hrs by Molmil
A CRYSTALLOGRAPHIC STUDY OF HAEM BINDING TO FERRITIN
分子名称: APOFERRITIN CO-CRYSTALLIZED WITH SN-PROTOPORPHYRIN IX IN CADMIUM SULFATE, CADMIUM ION, PROTOPORPHYRIN IX
著者Precigoux, G, Yariv, J, Gallois, B, Dautant, A, Courseille, C, Langlois D'Estaintot, B.
登録日1993-11-05
公開日1994-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A crystallographic study of haem binding to ferritin.
Acta Crystallogr.,Sect.D, 50, 1994
8E79
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BU of 8e79 by Molmil
Mycobacterium tuberculosis RNAP paused elongation complex with Escherichia coli NusG transcription factor
分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Delbeau, M, Darst, S.A, Campbell, E.A.
登録日2022-08-23
公開日2023-03-22
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023
8E95
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BU of 8e95 by Molmil
Mycobacterium tuberculosis RNAP elongation complex
分子名称: DNA (25-MER), DNA (33-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Delbeau, M, Darst, S.A, Campbell, E.A.
登録日2022-08-26
公開日2023-03-22
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023
4KLL
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BU of 4kll by Molmil
DNA polymerase beta matched product complex with Mg2+, 45 min
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
登録日2013-05-07
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
4KLU
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DNA polymerase beta mismatched product complex with Mn2+, 15 h
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*A)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
登録日2013-05-07
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
7SK8
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Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, an extracellular Fab, and an intracellular Fab
分子名称: (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Atypical chemokine receptor 3, CHOLESTEROL, ...
著者Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G.
登録日2021-10-19
公開日2022-07-27
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
8E8M
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Mycobacterium tuberculosis RNAP paused elongation complex
分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Delbeau, M, Darst, S.A, Campbell, E.A.
登録日2022-08-25
公開日2023-03-22
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023

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