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4CAB
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BU of 4cab by Molmil
The refined structure of catalase DR1998 from Deinococcus radiodurans at 2.6 A resolution
分子名称: CATALASE, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Borges, P.T, Miranda, C.S, Santos, S.P, Frazao, C, Romao, C.V.
登録日2013-10-08
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Structure of the Mono-Functional Heme Catalase Dr1998 from Deinococcus Radiodurans
FEBS J., 281, 2014
3LJ0
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BU of 3lj0 by Molmil
IRE1 complexed with ADP and Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lee, K.P.K, Sicheri, F.
登録日2010-01-25
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
4DZ7
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BU of 4dz7 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Aggarwal, M, McKenna, R.
登録日2012-02-29
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4C2T
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BU of 4c2t by Molmil
Crystal structure of full length Deinococcus radiodurans UvrD in complex with DNA
分子名称: DNA HELICASE II, DNA STRAND FOR28, DNA STRAND REV28, ...
著者Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J.
登録日2013-08-20
公開日2013-10-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.997 Å)
主引用文献Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
4E0O
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BU of 4e0o by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
著者Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D.
登録日2012-03-04
公開日2012-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
3LMM
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BU of 3lmm by Molmil
Crystal Structure of the DIP2311 protein from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR35
分子名称: CHLORIDE ION, COBALT (II) ION, Uncharacterized protein
著者Forouhar, F, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Buchwald, W.A, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-01-31
公開日2010-02-16
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Northeast Structural Genomics Consortium Target CdR35
To be Published
3LSF
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BU of 3lsf by Molmil
Piracetam bound to the ligand binding domain of GluA2
分子名称: 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ...
著者Ahmed, A.H, Ptak, C.P, Oswald, R.E.
登録日2010-02-12
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors.
J.Med.Chem., 53, 2010
4B7X
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BU of 4b7x by Molmil
Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa.
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROBABLE OXIDOREDUCTASE
著者Alphey, M.S, McMahon, S.A, Duthie, F, Naismith, J.H.
登録日2012-08-24
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
4B5R
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BU of 4b5r by Molmil
SAM-I riboswitch bearing the H. marismortui K-t-7
分子名称: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
著者Daldrop, P, Lilley, D.M.J.
登録日2012-08-07
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The Plasticity of a Structural Motif in RNA: Structural Polymorphism of a Kink Turn as a Function of its Environment.
RNA, 19, 2013
4DI8
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BU of 4di8 by Molmil
CRYSTAL STRUCTURE OF THE D248A mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 8.5
分子名称: (1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid, 2-oxo-2H-pyran-4,6-dicarboxylic acid, 2-pyrone-4,6-dicarbaxylate hydrolase, ...
著者Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C.
登録日2012-01-11
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
4OC7
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BU of 4oc7 by Molmil
Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2
分子名称: (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C.
登録日2014-01-08
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
3LTN
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BU of 3ltn by Molmil
Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (S. pneumoniae)
分子名称: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', ...
著者Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
登録日2010-02-16
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
3LVX
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BU of 3lvx by Molmil
Crystal structure of human alpha-defensin 1 (I6A mutant)
分子名称: GLYCEROL, Neutrophil defensin 1, SULFATE ION
著者Pazgier, M, Lu, W.
登録日2010-02-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
4FCQ
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BU of 4fcq by Molmil
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha
著者Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FA8
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BU of 4fa8 by Molmil
Multi-pronged modulation of cytokine signaling
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage colony-stimulating factor 1, Secreted protein BARF1, ...
著者He, X, Shim, A.H.
登録日2012-05-21
公開日2012-08-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multipronged attenuation of macrophage-colony stimulating factor signaling by Epstein-Barr virus BARF1.
Proc.Natl.Acad.Sci.USA, 109, 2012
4B41
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BU of 4b41 by Molmil
Crystal structure of an amyloid-beta binding single chain antibody G7
分子名称: ANTIBODY G7, CHLORIDE ION, GLYCEROL
著者Beringer, D.X, Dorresteijn, B, Rutten, L, Wienk, H, el Khattabi, M, Kroon-Batenburg, L.M.J, Verrips, C.T.
登録日2012-07-27
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.191 Å)
主引用文献Crystal Structure of an Amyloid-Beta Binding Single Chain Antibody G7
To be Published
4B0H
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BU of 4b0h by Molmil
B. subtilis dUTPase YncF in complex with dU, PPi and Mg b (P212121)
分子名称: 2'-DEOXYURIDINE, CHLORIDE ION, MAGNESIUM ION, ...
著者Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S.
登録日2012-07-02
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
3LR4
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BU of 3lr4 by Molmil
Periplasmic domain of the risS sensor protein from Burkholderia pseudomallei, barium phased at low pH
分子名称: BARIUM ION, CHLORIDE ION, Sensor protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-02-10
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for pH sensing by the periplasmic domain of the risS histidine kinase from Burkholderia pseudomallei
To be Published
3LS5
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BU of 3ls5 by Molmil
Anti-tetrahydrocannabinol Fab Fragment, Free Form
分子名称: Heavy chain of antibody Fab fragment, Light chain of antibody Fab fragment
著者Niemi, M.H, Rouvinen, J.
登録日2010-02-12
公開日2010-06-02
最終更新日2014-01-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural insight into the molecular recognition of a (-)-Delta9-tetrahydrocannabinol and the development of a sensitive, one-step, homogeneous immunocomplex-based assay for its detection
J.Mol.Biol., 400, 2010
4BBO
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BU of 4bbo by Molmil
Crystal structure of core-bradavidin
分子名称: ACETATE ION, BIOTIN, BLR5658 PROTEIN, ...
著者Airenne, T.T, Johnson, M.S, Maatta, J.A.E, Hytonen, V.H, Kulomaa, M.S.
登録日2012-09-27
公開日2013-10-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Core-Bradavidin
To be Published
3LSL
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BU of 3lsl by Molmil
Piracetam bound to the ligand binding domain of GluA2 (flop form)
分子名称: 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ...
著者Ahmed, A.H, Oswald, R.E.
登録日2010-02-12
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.122 Å)
主引用文献Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors.
J.Med.Chem., 53, 2010
4BCA
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BU of 4bca by Molmil
MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant
分子名称: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, CHLORIDE ION, ...
著者Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A.
登録日2012-10-01
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FIG
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BU of 4fig by Molmil
Catalytic domain of human PAK4
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4BF2
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BU of 4bf2 by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: ACETATE ION, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, ...
著者Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J.
登録日2013-03-13
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
3LTJ
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BU of 3ltj by Molmil
Structure of a new family of artificial alpha helicoidal repeat proteins (alpha-Rep) based on thermostable HEAT-like repeats
分子名称: AlphaRep-4
著者Urvoas, A, Guellouz, A, Graille, M, van Tilbeurgh, H, Desmadril, M, Minard, P.
登録日2010-02-16
公開日2010-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, production and molecular structure of a new family of artificial alpha-helicoidal repeat proteins ( alpha Rep) based on thermostable HEAT-like repeats
J.Mol.Biol., 404, 2010

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