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7X09
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BU of 7x09 by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with inhibitors L95 and Halofuginone
分子名称: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, Bifunctional glutamate/proline--tRNA ligase, ...
著者Manickam, Y, Babbar, P, Pillai, P, Sharma, A.
登録日2022-02-21
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Homo sapiens Prolyl-tRNA synthetase (HsPRS) with double inhibitors (HF and L95)
To Be Published
3DTK
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BU of 3dtk by Molmil
Crystal structure of the IRRE protein, a central regulator of DNA damage repair in deinococcaceae
分子名称: CHLORIDE ION, IRRE PROTEIN, ZINC ION
著者Vujicic-Zagar, A, Dulermo, R, Le Gorrec, M, Vannier, F, Servant, P, Sommer, S, de Groot, A, Serre, L.
登録日2008-07-15
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Crystal structure of the IrrE protein, a central regulator of DNA damage repair in deinococcaceae
J.Mol.Biol., 386, 2009
7X1O
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BU of 7x1o by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with double inhibitors HF and L95
分子名称: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, Bifunctional glutamate/proline--tRNA ligase, ...
著者Manickam, Y, Babbar, P, Sharma, A.
登録日2022-02-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structure of Homo sapiens Prolyl-tRNA synthetase (HsPRS) with double inhibitors (HF and L95)
To Be Published
6G7H
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BU of 6g7h by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: resting state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
6NJX
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BU of 6njx by Molmil
C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with mercury
分子名称: IODIDE ION, MERCURY (II) ION, Xcc_ctr_Hg
著者Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S.
登録日2019-01-04
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
3BGC
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BU of 3bgc by Molmil
HIV-1 protease in complex with a benzyl decorated oligoamine
分子名称: CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide), Protease
著者Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-11-26
公開日2008-09-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors
Bioorg.Med.Chem., 16, 2008
1KJN
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BU of 1kjn by Molmil
Structure of MT0777
分子名称: MTH0777
著者Christendat, D, Edwards, A, Joachimiak, A, Korolev, S, Midwest Center for Structural Genomics (MCSG)
登録日2001-12-04
公開日2002-08-14
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of MT0777
To be published
4NDY
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BU of 4ndy by Molmil
Human MHF1-MHF2 DNA complex
分子名称: Centromere protein S, Centromere protein X, DNA (26-MER)
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.999 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
1AVR
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BU of 1avr by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN ANNEXIN V AFTER REFINEMENT. IMPLICATIONS FOR STRUCTURE, MEMBRANE BINDING AND ION CHANNEL FORMATION OF THE ANNEXIN FAMILY OF PROTEINS
分子名称: ANNEXIN V, CALCIUM ION, SULFATE ION
著者Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E.
登録日1991-10-17
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins.
J.Mol.Biol., 223, 1992
6NKG
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BU of 6nkg by Molmil
Crystal Structure of the Lipase Lip_vut5 from Goat Rumen metagenome.
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Lip_vut5, ...
著者Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A.
登録日2019-01-07
公開日2020-01-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of the Lipase Lip_vut5 from Goat Rumen metagenome.
To Be Published
4NE1
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BU of 4ne1 by Molmil
Human MHF1 MHF2 DNA complexes
分子名称: Centromere protein S, Centromere protein X, DNA (26-MER)
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.499 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
7XOZ
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BU of 7xoz by Molmil
Crystal structure of RPPT-TIR
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
著者Song, W, Jia, A, Huang, S, Chai, J.
登録日2022-05-02
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
5LUX
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BU of 5lux by Molmil
Homeobox transcription factor CDX1 bound to methylated DNA
分子名称: DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ...
著者Morgunova, E, Popov, A, Taipale, J.
登録日2016-09-12
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
3DSZ
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BU of 3dsz by Molmil
Engineered human lipocalin 2 in complex with Y-DTPA
分子名称: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, YTTRIUM (III) ION, engineered human lipocalin 2
著者Eichinger, A, Skerra, A.
登録日2008-07-14
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2
J.Am.Chem.Soc., 131, 2009
6GA5
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BU of 6ga5 by Molmil
Bacteriorhodopsin, 3 ps state, REAL-SPACE REFINEMED AGAINST 10% EXTRAPOLATED MAP
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAF
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BU of 6gaf by Molmil
BACTERIORHODOPSIN, 590 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
4NI0
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BU of 4ni0 by Molmil
Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound
分子名称: 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
登録日2013-11-05
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
1BG4
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BU of 1bg4 by Molmil
XYLANASE FROM PENICILLIUM SIMPLICISSIMUM
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA-XYLANASE, GLYCEROL, ...
著者Schmidt, A, Kratky, C.
登録日1998-06-05
公開日1998-08-12
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the xylanase from Penicillium simplicissimum.
Protein Sci., 7, 1998
8B24
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BU of 8b24 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 3600-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ...
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (4.53 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
1YSN
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BU of 1ysn by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand
分子名称: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-08
公開日2005-06-07
最終更新日2023-11-29
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
6FLZ
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BU of 6flz by Molmil
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with methyl-mannose.
分子名称: CITRIC ACID, Jacalin-like lectin, methyl alpha-D-mannopyranoside
著者Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P.
登録日2018-01-29
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
2Z6Z
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BU of 2z6z by Molmil
Crystal structure of a photoswitchable GFP-like protein Dronpa in the bright-state
分子名称: Fluorescent protein Dronpa
著者Kikuchi, A, Jeyakanthan, J, Taka, J, Shiro, Y, Mizuno, H, Miyawaki, A.
登録日2007-08-09
公開日2008-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Light-dependent regulation of structural flexibility in a photochromic fluorescent protein.
Proc.Natl.Acad.Sci.Usa, 105, 2008
8B22
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BU of 8b22 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 300-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.98 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B23
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BU of 8b23 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 600-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.84 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
6NRU
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BU of 6nru by Molmil
Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CobC, ...
著者Kim, Y, Gu, M, Shatsman, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-24
公開日2019-03-06
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.505 Å)
主引用文献Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri
To Be Published

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