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3SES
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BU of 3ses by Molmil
Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization
分子名称: CHLORIDE ION, COPPER (II) ION, Maltose-binding periplasmic protein, ...
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SET
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BU of 3set by Molmil
Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I)
分子名称: Maltose-binding periplasmic protein, NICKEL (II) ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-11
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SGO
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BU of 3sgo by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.557 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SM9
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Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist
分子名称: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, CHLORIDE ION, Metabotropic glutamate receptor 3, ...
著者Wernimont, A.K, Dong, A, Seitova, A, Crombet, L, Khutoreskaya, G, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Cossar, D, Dobrovetsky, E, Structural Genomics Consortium (SGC)
登録日2011-06-27
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist
TO BE PUBLISHED
3RYD
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BU of 3ryd by Molmil
Crystal structure of Ca bound IMPase family protein from Staphylococcus aureus
分子名称: CALCIUM ION, Inositol monophosphatase family protein, POTASSIUM ION, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2011-05-11
公開日2012-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of Staphylococcal dual specific inositol monophosphatase/NADP(H) phosphatase (SAS2203) delineates the molecular basis of substrate specificity
Biochimie, 94, 2012
3S3O
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BU of 3s3o by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) N224H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572)
分子名称: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ...
著者Hare, S, Cherepanov, P.
登録日2011-05-18
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572).
Mol.Pharmacol., 80, 2011
3S46
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The crystal structure of alanine racemase from streptococcus pneumoniae
分子名称: Alanine racemase, BENZOIC ACID
著者Im, H, Sharpe, M.L, Strych, U, Davlieva, M, Krause, K.L.
登録日2011-05-18
公開日2011-06-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of alanine racemase from Streptococcus pneumoniae, a target for structure-based drug design.
BMC MICROBIOL., 11, 2011
3S55
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BU of 3s55 by Molmil
Crystal structure of a putative short-chain dehydrogenase/reductase from Mycobacterium abscessus bound to NAD
分子名称: CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative short-chain dehydrogenase/reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-05-20
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3S6O
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BU of 3s6o by Molmil
Crystal structure of a Polysaccharide deacetylase family protein from Burkholderia pseudomallei
分子名称: 1,2-ETHANEDIOL, Polysaccharide deacetylase family protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-05-25
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a Polysaccharide deacetylase family protein from Burkholderia pseudomallei
To be Published
3S9N
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BU of 3s9n by Molmil
Complex between transferrin receptor 1 and transferrin with iron in the N-Lobe, room temperature
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ...
著者Eckenroth, B.E, Steere, A.N, Mason, A.B, Everse, S.J.
登録日2011-06-01
公開日2011-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献How the binding of human transferrin primes the transferrin receptor potentiating iron release at endosomal pH.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SB5
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BU of 3sb5 by Molmil
Zn-mediated Trimer of T4 Lysozyme R125C/E128C by Synthetic Symmetrization
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme, ...
著者Laganowsky, A, Soriaga, A.B, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SGS
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BU of 3sgs by Molmil
Amyloid-related segment of alphaB-crystallin residues 95-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SKO
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BU of 3sko by Molmil
Crystal structure of the HLA-B8-A66-FLR, mutant A66 of the HLA B8
分子名称: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
著者Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
登録日2011-06-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SMS
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BU of 3sms by Molmil
Human Pantothenate kinase 3 in complex with a pantothenate analog
分子名称: (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ...
著者Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Human Pantothenate kinase 3 in complex with a pantothenate analog
to be published
3S2G
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BU of 3s2g by Molmil
Crystal Structure of FurX NADH+:Furfuryl alcohol I
分子名称: FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L.
登録日2011-05-16
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
3S12
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BU of 3s12 by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J.
登録日2011-05-14
公開日2011-12-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
3S4Y
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BU of 3s4y by Molmil
Crystal structure of human thiamin pyrophosphokinase 1
分子名称: CALCIUM ION, SULFATE ION, THIAMINE DIPHOSPHATE, ...
著者Shen, L, Tempel, W, Tong, Y, Li, Y, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-05-20
公開日2011-06-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human thiamin pyrophosphokinase 1
to be published
8P3A
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BU of 8p3a by Molmil
bacteriophage T5 l-alanoyl-d-glutamate peptidase Zn2+/Ca2+ form
分子名称: CALCIUM ION, L-alanyl-D-glutamate peptidase, ZINC ION
著者Prokhorov, D.A, Kutyshenko, V.P, Mikoulinskaia, G.V.
登録日2023-05-17
公開日2023-07-05
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Mechanism of Ca2+-dependent activation of L-alanoyl-D-glutamate peptidase bacteriophage T5.
To Be Published
3SW4
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BU of 3sw4 by Molmil
Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor
分子名称: ACETATE ION, Cyclin-dependent kinase 2, N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine
著者Kang, Y.N, Stuckey, J.A.
登録日2011-07-13
公開日2012-08-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the CDK2 in complex with a thiazolylpyrimidine inhibitor
To be Published
3SX5
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BU of 3sx5 by Molmil
Crystal structure of AABB+UDP+Gal with MPD as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3T11
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BU of 3t11 by Molmil
Dimeric inhibitor of HIV-1 protease.
分子名称: (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Brynda, J, Rezacova, P, Saskova, G.K, Kozisek, M, Konvalinka, J.
登録日2011-07-21
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Dimeric inhibitor of HIV-1 protease.
To be Published
3STM
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BU of 3stm by Molmil
Structure of human LFABP in complex with one molecule of palmitic acid
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Sharma, A, Sharma, A.
登録日2011-07-11
公開日2011-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Fatty acid induced remodeling within the Human liver fatty acid binding protein
J.Biol.Chem., 2011
3SOW
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BU of 3sow by Molmil
Structure of UHRF1 PHD finger in complex with histone H3K4me3 1-9 peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
著者Rajakumara, E, Patel, D.J.
登録日2011-06-30
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9501 Å)
主引用文献PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
3SVH
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BU of 3svh by Molmil
Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-07-12
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
To be Published
3SPF
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BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
分子名称: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012

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