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5ORO
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BU of 5oro by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORR
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BU of 5orr by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
1K90
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BU of 1k90 by Molmil
Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin and 3' deoxy-ATP
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CALMODULIN, ...
著者Drum, C.L, Yan, S.-Z, Bard, J, Shen, Y.-Q, Lu, D, Soelaiman, S, Grabarek, Z, Bohm, A, Tang, W.-J.
登録日2001-10-26
公開日2002-01-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin.
Nature, 415, 2002
4OKH
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BU of 4okh by Molmil
Crystal structure of calpain-3 penta-EF-hand domain
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CALCIUM ION, Calpain-3
著者Karunan Partha, S, Ravulapalli, R, Campbell, R.L, Allingham, J.S, Davies, P.L.
登録日2014-01-22
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of calpain-3 penta-EF-hand (PEF) domain - a homodimerized PEF family member with calcium bound at the fifth EF-hand.
Febs J., 281, 2014
3BQ7
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BU of 3bq7 by Molmil
SAM domain of Diacylglycerol Kinase delta1 (E35G)
分子名称: Diacylglycerol kinase delta
著者Knight, M.J, Bowie, J.U, Sawaya, M.R.
登録日2007-12-19
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Regulation of Enzyme Localization by Polymerization: Polymer Formation by the SAM Domain of Diacylglycerol Kinase delta1
Structure, 16, 2008
4OCY
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BU of 4ocy by Molmil
Fab for methotrexate (unbound apo)
分子名称: Fab ADD058 Heavy Chain, Fab ADD058 Light Chain
著者Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S.
登録日2014-01-09
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Water channel in the binding site of a high affinity anti-methotrexate antibody.
Biochemistry, 53, 2014
2Z51
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BU of 2z51 by Molmil
Crystal structure of Arabidopsis CnfU involved in iron-sulfur cluster biosynthesis
分子名称: MAGNESIUM ION, NifU-like protein 2, chloroplast
著者Yabe, T, Yamashita, E, Nakai, M.
登録日2007-06-26
公開日2008-07-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Analysis of Arabidopsis CnfU Protein: An Iron-Sulfur Cluster Biosynthetic Scaffold in Chloroplasts.
J.Mol.Biol., 2008
4O4S
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BU of 4o4s by Molmil
Crystal structure of phycobiliprotein lyase CpcT complexed with phycocyanobilin (PCB)
分子名称: PHYCOCYANOBILIN, Phycocyanobilin lyase CpcT
著者Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X.
登録日2013-12-19
公開日2014-08-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Mechanism of the Phycobiliprotein Lyase CpcT.
J.Biol.Chem., 289, 2014
3EKH
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BU of 3ekh by Molmil
Calcium-saturated GCaMP2 T116V/K378W mutant monomer
分子名称: CALCIUM ION, GLYCEROL, Myosin light chain kinase, ...
著者Akerboom, J, Velez Rivera, J.D, Looger, L.L, Schreiter, E.R.
登録日2008-09-19
公開日2008-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design
J.Biol.Chem., 284, 2009
1KZ5
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BU of 1kz5 by Molmil
Solution structure of the third helix of Antennapedia homeodomain derivatives (RQIKIWFRKWKK)
分子名称: Antennapedia protein
著者Czajlik, A, Mesko, E, Penke, B, Perczel, A.
登録日2002-02-06
公開日2002-02-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Investigation of penetratin peptides. Part 1. The environment dependent conformational properties of penetratin and two of its derivatives.
J.Pept.Sci., 8, 2002
4O4O
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BU of 4o4o by Molmil
Crystal structure of phycobiliprotein lyase CpcT
分子名称: MAGNESIUM ION, Phycocyanobilin lyase CpcT
著者Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X.
登録日2013-12-19
公開日2014-08-06
最終更新日2014-10-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Mechanism of the Phycobiliprotein Lyase CpcT.
J.Biol.Chem., 289, 2014
2PHA
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BU of 2pha by Molmil
Crystal structure of native, unliganded human arginase at 1.90 resolution
分子名称: Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Pique, M.E, Christianson, D.W.
登録日2007-04-10
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster.
J.Am.Chem.Soc., 129, 2007
4LQK
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BU of 4lqk by Molmil
Structure of the vaccinia virus NF- B antagonist A46
分子名称: BROMIDE ION, Protein A46, SODIUM ION
著者Grishkovskaya, I, Fedosyuk, S, Skern, T, Djinovic-Carugo, K.
登録日2013-07-18
公開日2013-12-25
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Characterization and Structure of the Vaccinia Virus NF-kappa B Antagonist A46.
J.Biol.Chem., 289, 2014
4HEX
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BU of 4hex by Molmil
A novel conformation of calmodulin
分子名称: CALCIUM ION, Calmodulin, ZINC ION
著者Kumar, V, Chichili, V.P.R, Sivaraman, J.
登録日2012-10-04
公開日2013-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献A novel trans conformation of ligand-free calmodulin
Plos One, 8, 2013
4M0Q
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BU of 4m0q by Molmil
Ebola virus VP24 structure
分子名称: Membrane-associated protein VP24
著者Xu, W, Leung, D.W, Borek, D, Amarasinghe, G.K.
登録日2013-08-01
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.921 Å)
主引用文献The Marburg Virus VP24 Protein Interacts with Keap1 to Activate the Cytoprotective Antioxidant Response Pathway.
Cell Rep, 6, 2014
3AJ2
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BU of 3aj2 by Molmil
The structure of AxCeSD octamer (C-terminal HIS-tag) from Acetobacter xylinum
分子名称: Cellulose synthase operon protein D
著者Hu, S.Q, Tajima, K, Zhou, Y, Tanaka, I, Yao, M.
登録日2010-05-20
公開日2010-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of bacterial cellulose synthase subunit D octamer with four inner passageways
Proc.Natl.Acad.Sci.USA, 107, 2010
3LI0
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BU of 3li0 by Molmil
Crystal structure of the mutant R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
分子名称: 1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
登録日2010-01-23
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
4MEM
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BU of 4mem by Molmil
Crystal Structure of the rat USP11 DUSP-UBL domains
分子名称: Ubiquitin carboxyl-terminal hydrolase 11
著者Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
登録日2013-08-27
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
4IL1
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BU of 4il1 by Molmil
Crystal Structure of the Rat Calcineurin
分子名称: CALCIUM ION, Calmodulin, Calcineurin subunit B type 1, ...
著者Ye, Q, Faucher, F, Jia, Z.
登録日2012-12-28
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of calcineurin activation by calmodulin.
Cell Signal, 25, 2013
3LB6
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BU of 3lb6 by Molmil
The structure of IL-13 in complex with IL-13Ralpha2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Interleukin-13, ...
著者Lupardus, P.J, Garcia, K.C, Birnbaum, M.E.
登録日2010-01-07
公開日2010-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Molecular basis for shared cytokine recognition revealed in the structure of an unusually high affinity complex between IL-13 and IL-13Ralpha2.
Structure, 18, 2010
1KZ2
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BU of 1kz2 by Molmil
Solution structure of the third helix of Antennapedia homeodomain derivative [W6F,W14F]
分子名称: Antennapedia protein
著者Czajlik, A, Mesko, E, Penke, B, Perczel, A.
登録日2002-02-06
公開日2002-02-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Investigation of penetratin peptides. Part 1. The environment dependent conformational properties of penetratin and two of its derivatives.
J.Pept.Sci., 8, 2002
4IH3
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BU of 4ih3 by Molmil
2.5 Angstroms X-ray crystal structure of of human 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase in complex with dipicolinic acid
分子名称: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, PYRIDINE-2,6-DICARBOXYLIC ACID, ZINC ION
著者Huo, L, Liu, A.
登録日2012-12-18
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
2PEV
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BU of 2pev by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
登録日2007-04-03
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
4JWL
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BU of 4jwl by Molmil
Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH7.5
分子名称: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
著者Hoh, F, Rouhana, J.
登録日2013-03-27
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors
J.Med.Chem., 56, 2013
5ZJI
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BU of 5zji by Molmil
Structure of photosystem I supercomplex with light-harvesting complexes I and II
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Pan, X.W, Ma, J, Su, X.D, Cao, P, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2018-03-20
公開日2018-06-20
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the maize photosystem I supercomplex with light-harvesting complexes I and II.
Science, 360, 2018

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