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1VS0
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BU of 1vs0 by Molmil
Crystal Structure of the Ligase Domain from M. tuberculosis LigD at 2.4A
分子名称: CHLORIDE ION, MAGNESIUM ION, Putative DNA ligase-like protein Rv0938/MT0965, ...
著者Akey, D, Martins, A, Aniukwu, J, Glickman, M.S, Shuman, S, Berger, J.M, TB Structural Genomics Consortium (TBSGC)
登録日2006-01-27
公開日2006-02-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure and Nonhomologous End-joining Function of the Ligase Component of Mycobacterium DNA Ligase D.
J.Biol.Chem., 281, 2006
4X08
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BU of 4x08 by Molmil
Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
分子名称: Eosinophil cationic protein, SULFATE ION
著者Blanco, J.A, Garcia, J.M, Salazar, V.A, Sanchez, D, Moussauoi, M, Boix, E.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
To Be Published
5ABV
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BU of 5abv by Molmil
Complex of D. melanogaster eIF4E with the 4E-binding protein Mextli
分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, GH11071P
著者Peter, D, Weichenrieder, O.
登録日2015-08-09
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Mextli Proteins Use Both Canonical Bipartite and Novel Tripartite Binding Modes to Form Eif4E Complexes that Display Differential Sensitivity to 4E-BP Regulation
Genes Dev., 29, 2015
6CN3
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BU of 6cn3 by Molmil
Crystal structure of zebrafish Phosphatidylinositol-4-phosphate 5- kinase alpha isoform D236A
分子名称: Phosphatidylinositol-4-phosphate 5-kinase, type I, alpha
著者Zeng, X, Sui, D, Hu, J.
登録日2018-03-07
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.351 Å)
主引用文献Structural insights into lethal contractural syndrome type 3 (LCCS3) caused by a missense mutation of PIP5K gamma.
Biochem. J., 475, 2018
5LWP
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BU of 5lwp by Molmil
Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists
分子名称: 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma
著者Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F.
登録日2016-09-19
公開日2016-11-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
2CSC
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BU of 2csc by Molmil
Structure of ternary complexes of CITRATE SYNTHASE WITH D-AND L-MALATE: mechanistic implications
分子名称: CARBOXYMETHYL COENZYME *A, CITRATE SYNTHASE, D-MALATE
著者Karpusas, M, Holland, D, Remington, S.J.
登録日1990-05-07
公開日1991-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
5D24
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BU of 5d24 by Molmil
First bromodomain of BRD4 bound to inhibitor XD26
分子名称: 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M, Gerhardt, S.
登録日2015-08-05
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3H
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BU of 5d3h by Molmil
First bromodomain of BRD4 bound to inhibitor XD29
分子名称: Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide
著者Wohlwend, D, Huegle, M, Weitzel, G.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
3C1G
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BU of 3c1g by Molmil
Substrate binding, deprotonation and selectivity at the periplasmic entrance of the E. coli ammonia channel AmtB
分子名称: ACETATE ION, Ammonia channel, SULFATE ION
著者Javelle, A, Kostrewa, D, Lupo, D, Winkler, F.K.
登録日2008-01-23
公開日2008-03-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate binding, deprotonation, and selectivity at the periplasmic entrance of the Escherichia coli ammonia channel AmtB.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5D7W
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BU of 5d7w by Molmil
Crystal structure of serralysin
分子名称: CALCIUM ION, GLYCEROL, Serralysin, ...
著者Wu, D, Ran, T, Xu, D.Q, Wang, W.
登録日2015-08-14
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of a thermostable serralysin from Serratia sp. FS14 at 1.1 angstrom resolution.
Acta Crystallogr.,Sect.F, 72, 2016
1SVM
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BU of 1svm by Molmil
Co-crystal structure of SV40 large T antigen helicase domain and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ZINC ION, ...
著者Gai, D, Zhao, R, Finkielstein, C.V, Chen, X.S.
登録日2004-03-29
公開日2004-10-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanisms of conformational change for a replicative hexameric helicase of SV40 large tumor antigen.
Cell(Cambridge,Mass.), 119, 2004
7B5F
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BU of 7b5f by Molmil
Structure of echovirus 18 in complex with neonatal Fc receptor
分子名称: Beta-2-microglobulin, Echovirus 18 viral protein 1, Echovirus 18 viral protein 2, ...
著者Buchta, D, Levdansky, Y, Fuzik, T, Mukhamedova, L, Moravcova, J, Hrebik, D, Andersen, J.T, Plevka, P.
登録日2020-12-03
公開日2022-01-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of echovirus 18 in complex with neonatal Fc receptor
To Be Published
6V4P
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BU of 6v4p by Molmil
Structure of the integrin AlphaIIbBeta3-Abciximab complex
分子名称: Abciximab, heavy chain, light chain, ...
著者Nesic, D, Zhang, Y, Spasic, A, Li, J, Provasi, D, Filizola, M, Walz, T, Coller, B.S.
登録日2019-11-28
公開日2020-02-05
最終更新日2020-03-11
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-Electron Microscopy Structure of the alpha IIb beta 3-Abciximab Complex.
Arterioscler Thromb Vasc Biol., 40, 2020
3X0W
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BU of 3x0w by Molmil
Crystal structure of PLEKHM1 LIR-fused human LC3B_2-119
分子名称: Microtubule-associated proteins 1A/1B light chain 3B
著者Suzuki, H, McEwan, D.G, Popovic, D, Gubas, A, Terawaki, S, Stadel, D, Coxon, F, Stegmann, D.M, Bhogaraju, S, Maddi, K, Kirchhoff, A, Gatti, E, Helfrich, M.H, Behrends, C, Pierre, P, Dikic, I, Wakatsuki, S.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献PLEKHM1 regulates autophagosome-lysosome fusion through HOPS complex and LC3/GABARAP proteins.
Mol.Cell, 57, 2015
2V6V
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BU of 2v6v by Molmil
The structure of the Bem1p PX domain
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BUD EMERGENCE PROTEIN 1
著者Stahelin, R.V, Karathanassis, D, Murray, D, Williams, R.L, Cho, W.
登録日2007-07-21
公開日2007-07-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Membrane Binding Analysis of the Phox Homology Domain of Bem1P: Basis of Phosphatidylinositol 4-Phosphate Specificity.
J.Biol.Chem., 282, 2007
2VJD
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BU of 2vjd by Molmil
Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset C at 150K
分子名称: (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M.
登録日2007-12-09
公開日2008-07-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography.
Proc.Natl.Acad.Sci.USA, 105, 2008
6CGO
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BU of 6cgo by Molmil
Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase
分子名称: Condensation domain protein, PHOSPHATE ION
著者Valentic, T.R, Tsai, S.C, Challis, G.L, Lewandowski, J.R, Kosol, S, Gallo, A, Griffiths, D, Masschelein, J.L, Jenner, M, De los Santos, E.
登録日2018-02-20
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for chain release from the enacyloxin polyketide synthase.
Nat.Chem., 11, 2019
8OVY
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BU of 8ovy by Molmil
Structure of analogue of superfolded GFP
分子名称: Green fluorescent protein
著者Dunkelmann, D, Fiedler, M, Bellini, D, Alvira, C.P, Chin, J.W.
登録日2023-04-26
公開日2024-01-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.537 Å)
主引用文献Adding alpha , alpha-disubstituted and beta-linked monomers to the genetic code of an organism.
Nature, 625, 2024
2V55
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BU of 2v55 by Molmil
Mechanism of multi-site phosphorylation from a ROCK-I:RhoE complex structure
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Komander, D, Garg, R, Wan, P.T.C, Ridley, A.J, Barford, D.
登録日2008-10-01
公開日2008-11-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.705 Å)
主引用文献Mechanism of Multi-Site Phosphorylation from a Rock-I:Rhoe Complex Structure.
Embo J., 27, 2008
2VJA
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BU of 2vja by Molmil
Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 100K
分子名称: (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M.
登録日2007-12-09
公開日2008-07-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography.
Proc.Natl.Acad.Sci.USA, 105, 2008
2FBW
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BU of 2fbw by Molmil
Avian respiratory complex II with carboxin bound
分子名称: (~{Z})-2-oxidanylbut-2-enedioic acid, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ...
著者Huang, L.S, Sun, G, Cobessi, D, Wang, A.C, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A.
登録日2005-12-10
公開日2005-12-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme.
J.Biol.Chem., 281, 2006
1K1C
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BU of 1k1c by Molmil
Solution Structure of Crh, the Bacillus subtilis Catabolite Repression HPr
分子名称: catabolite repression HPr-like protein
著者Favier, A, Brutscher, B, Blackledge, M, Galinier, A, Deutscher, J, Penin, F, Marion, D.
登録日2001-09-25
公開日2001-10-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of Crh, the Bacillus subtilis catabolite repression HPr.
J.Mol.Biol., 317, 2002
5N18
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BU of 5n18 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2)
分子名称: 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N82
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BU of 5n82 by Molmil
Crystal structure of an engineered TycA variant in complex with an beta-Phe-AMP analog
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ...
著者Niquille, D.L, Hansen, D.L, Mori, T, Fercher, D, Kries, H, Hilvert, D.
登録日2017-02-22
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Nonribosomal biosynthesis of backbone-modified peptides.
Nat Chem, 10, 2018
1JPS
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BU of 1jps by Molmil
Crystal structure of tissue factor in complex with humanized Fab D3h44
分子名称: immunoglobulin Fab D3H44, heavy chain, light chain, ...
著者Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A.
登録日2001-08-03
公開日2002-02-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001

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