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5BPM
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BU of 5bpm by Molmil
Crystal structure of unhydrolyzed ATP bound human Hsp70 NBD double mutant E268Q+R272K.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
3T09
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BU of 3t09 by Molmil
E. coli (LacZ) beta-galactosidase (S796A) galactonolactone complex
分子名称: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
著者Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
登録日2011-07-19
公開日2012-01-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
5APJ
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BU of 5apj by Molmil
Ligand complex of RORg LBD
分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
5APF
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BU of 5apf by Molmil
Hen Egg White Lysozyme reference dataset even frames
分子名称: LYSOZYME C, SODIUM ION
著者Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G.
登録日2015-09-15
公開日2016-01-13
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal
Struct.Dyn., 2, 2015
6K5Q
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BU of 6k5q by Molmil
Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia
分子名称: ACETATE ION, GLYCEROL, Lysozyme C, ...
著者Kanal Elamparithi, B, Ankur, T, Sivakumar, M, Gunasekaran, K.
登録日2019-05-30
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.177 Å)
主引用文献Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia
To Be Published
3SSB
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BU of 3ssb by Molmil
Structure of Insect Metalloproteinase Inhibitor in Complex with Thermolysin
分子名称: CALCIUM ION, GLYCEROL, Inducible metalloproteinase inhibitor protein, ...
著者Arolas, J.L, Botelho, T.O, Vilcinskas, A, Gomis-Ruth, F.X.
登録日2011-07-08
公開日2011-09-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural evidence for standard-mechanism inhibition in metallopeptidases from a complex poised to resynthesize a Peptide bond.
Angew.Chem.Int.Ed.Engl., 50, 2011
3T0D
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BU of 3t0d by Molmil
E.coli (lacZ) beta-galactosidase (S796T) in complex with galactonolactone
分子名称: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
著者Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
登録日2011-07-20
公開日2012-01-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Ser-796 of Beta-galactosidase (E. coli) plays a Key role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T08
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BU of 3t08 by Molmil
E. coli (LacZ) beta-galactosidase (S796A) IPTG complex
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
登録日2011-07-19
公開日2012-01-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3TAU
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BU of 3tau by Molmil
Crystal Structure of a Putative Guanylate Monophosphaste Kinase from Listeria monocytogenes EGD-e
分子名称: Guanylate kinase, SODIUM ION, SULFATE ION
著者Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Kwok, J, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-08-04
公開日2011-08-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of a Putative Guanylate Monophosphaste Kinase from Listeria monocytogenes EGD-e
To be Published
6JZH
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BU of 6jzh by Molmil
Structure of human A2A adenosine receptor in complex with ZM241385 obtained from SFX experiments under atmospheric pressure
分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Nango, E, Shimamura, T, Nakane, T, Yamanaka, Y, Mori, C, Kimura, K.T, Fujiwara, T, Tanaka, T, Iwata, S.
登録日2019-05-02
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019
5CY7
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BU of 5cy7 by Molmil
Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryze, in complex with fragment 275
分子名称: 2-(difluoromethyl)-1H-benzimidazole, 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 (2.4 Å)
主引用文献Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryze, in complex with fragment 275
To Be Published
5D49
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BU of 5d49 by Molmil
Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination
分子名称: ACETATE ION, DNA (5'-D(*AP*AP*AP*AP*A)-3'), DNA (5'-D(*AP*AP*AP*AP*AP*C)-3'), ...
著者Loc'h, J, Rosario, S, Delarue, M.
登録日2015-08-07
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination.
Structure, 24, 2016
3TP2
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BU of 3tp2 by Molmil
Crystal Structure of the Splicing Factor Cwc2 from yeast
分子名称: Pre-mRNA-splicing factor CWC2, SODIUM ION, ZINC ION
著者Schmitzova, J.
登録日2011-09-07
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Cwc2 reveals a novel architecture of a multipartite RNA-binding protein.
Embo J., 31, 2012
1UUO
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BU of 1uuo by Molmil
Rat dihydroorotate dehydrogenase (DHOD)in complex with brequinar
分子名称: 6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ...
著者Hansen, M, Le Nours, J, Johansson, E, Antal, T, Ullrich, A, Loffler, M, Larsen, S.
登録日2004-01-08
公開日2004-04-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Inhibitor Binding in a Class 2 Dihydroorotate Dehydrogenase Causes Variations in the Membrane-Associated N-Terminal Domain
Protein Sci., 13, 2004
1UXR
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BU of 1uxr by Molmil
Structural basis for allosteric regulation and substrate specificity of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase (GAPN) from Thermoproteus tenax
分子名称: 6-O-phosphono-beta-D-fructofuranose, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (NADP+), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Lorentzen, E, Hensel, R, Pohl, E.
登録日2004-03-01
公開日2004-08-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Allosteric Regulation and Substrate Specificity of the Non-Phosphorylating Glyceraldehyde 3-Phosphate Dehydrogenase from Thermoproteus Tenax
J.Mol.Biol., 341, 2004
3TZL
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BU of 3tzl by Molmil
Crystal Structure of Tryptophanyl-tRNA Synthetase from Campylobacter jejuni complexed with ADP and Tryptophane
分子名称: ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, SODIUM ION, ...
著者Kim, Y, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-27
公開日2011-10-05
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献Crystal Structure of Tryptophanyl-tRNA Synthetase from Campylobacter jejuni complexed with ADP and Tryptophane
To be Published
1UXT
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BU of 1uxt by Molmil
Structural basis for allosteric regulation and substrate specificity of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase (GAPN) from Thermoproteus tenax
分子名称: 1-O-phosphono-alpha-D-glucopyranose, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (NADP+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Lorentzen, E, Hensel, R, Pohl, E.
登録日2004-03-01
公開日2004-08-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Allosteric Regulation and Substrate Specificity of the Non-Phosphorylating Glyceraldehyde 3-Phosphate Dehydrogenase from Thermoproteus Tenax
J.Mol.Biol., 341, 2004
2FBB
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BU of 2fbb by Molmil
Crystal Structure Analysis of Hexagonal Lysozyme
分子名称: Lysozyme C, NITRATE ION, SODIUM ION
著者Brinkmann, C, Weiss, M.S, Weckert, E.
登録日2005-12-09
公開日2006-03-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The structure of the hexagonal crystal form of hen egg-white lysozyme.
Acta Crystallogr.,Sect.D, 62, 2006
4ZVJ
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BU of 4zvj by Molmil
Structure of human triose phosphate isomerase K13M
分子名称: POTASSIUM ION, SODIUM ION, Triosephosphate isomerase
著者Amrich, C.G, Smith, C, Heroux, A, VanDemark, A.P.
登録日2015-05-18
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6996 Å)
主引用文献Triosephosphate isomerase I170V alters catalytic site, enhances stability and induces pathology in a Drosophila model of TPI deficiency.
Biochim. Biophys. Acta, 1852, 2015
5CXB
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BU of 5cxb by Molmil
Structure of Ytm1 bound to the C-terminal domain of Erb1 in P21 21 2 space group
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Wegrecki, M, Bravo, J.
登録日2015-07-28
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of Erb1-Ytm1 complex reveals the functional importance of a high-affinity binding between two beta-propellers during the assembly of large ribosomal subunits in eukaryotes.
Nucleic Acids Res., 43, 2015
5D5F
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BU of 5d5f by Molmil
In meso in situ serial X-ray crystallography structure of lysozyme by bromine-SAD at 100 K
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ...
著者Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
登録日2015-08-10
公開日2016-01-13
最終更新日2016-03-02
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5CXJ
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BU of 5cxj by Molmil
Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryzae, in complex with fragment 124
分子名称: 2-(furan-2-yl)ethanamine, ACETATE ION, CADMIUM ION, ...
著者Ngo, H.P.T, Kang, L.W.
登録日2015-07-29
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 oryzae, in complex with fragment 124
To Be Published
5D6A
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BU of 5d6a by Molmil
2.7 Angstrom Crystal Structure of ABC transporter ATPase from Vibrio vulnificus in Complex with Adenylyl-imidodiphosphate (AMP-PNP)
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Predicted ATPase of the ABC class, SODIUM ION
著者Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-08-11
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献2.7 Angstrom Crystal Structure of ABC transporter ATPase from Vibrio vulnificus in Complex with Adenylyl-imidodiphosphate (AMP-PNP)
To Be Published
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
5D26
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BU of 5d26 by Molmil
First bromodomain of BRD4 bound to inhibitor XD28
分子名称: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Wohlwend, D, Huegle, M.
登録日2015-08-05
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 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

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