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4A7I
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Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor
分子名称: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ...
著者Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V.
登録日2011-11-14
公開日2012-02-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AL4
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rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)3-oxo-propyl)carbamoylamino)ethoxy)phenyl)methylpropanedioic acid
分子名称: 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN
著者Tucker, J.A, Brassington, C, Hassall, G, Ward, R, Tart, J, Davies, G, Hohson, M, Pearson, S.
登録日2012-03-01
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4A3L
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RNA Polymerase II initial transcribing complex with a 7nt DNA-RNA hybrid and soaked with AMPCPP
分子名称: 5'-D(*AP*AP*GP*TP*AP*CP*TP)-3', 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP *TP*TP*CP*CP*BRU*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*AP*CP*CP*AP*GP*GP*AP)-3', ...
著者Cheung, A.C.M, Sainsbury, S, Cramer, P.
登録日2011-09-30
公開日2011-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis of initial RNA polymerase II transcription.
EMBO J., 30, 2011
4A3M
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RNA Polymerase II initial transcribing complex with a 4nt DNA-RNA hybrid and soaked with AMPCPP
分子名称: 5'-D(*AP*AP*GP*TP*AP*CP*TP)-3', 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP* TP*TP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*AP*GP*GP*A)-3', ...
著者Cheung, A.C.M, Sainsbury, S, Cramer, P.
登録日2011-09-30
公開日2011-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural basis of initial RNA polymerase II transcription.
EMBO J., 30, 2011
4AHG
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S28N - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
分子名称: ANGIOGENIN, D(-)-TARTARIC ACID
著者Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
登録日2012-02-06
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
4A1O
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Crystal structure of Mycobacterium tuberculosis PurH complexed with AICAR and a novel nucleotide CFAIR, at 2.48 A resolution.
分子名称: 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, ...
著者Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N.
登録日2011-09-17
公開日2011-09-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
4A81
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Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with 8-Anilinonaphthalene-1-sulfonate (ANS) and deoxycholic acid
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ...
著者Kofler, S, Brandstetter, H.
登録日2011-11-18
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
4AHK
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K54E - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
分子名称: ANGIOGENIN, D(-)-TARTARIC ACID
著者Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
登録日2012-02-06
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
4AOH
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Structural snapshots and functional analysis of human angiogenin variants associated with Amyotrophic Lateral Sclerosis (ALS)
分子名称: ANGIOGENIN, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID
著者Thiyagarajan, N, Ferguson, R, Subramanian, V, Acharya, K.R.
登録日2012-03-27
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.041 Å)
主引用文献Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons
Nat.Commun., 3, 2012
4A87
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Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with naringenin.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, NARINGENIN, ...
著者Kofler, S, Brandstetter, H.
登録日2011-11-18
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
4AHJ
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I46V - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
分子名称: ANGIOGENIN, D(-)-TARTARIC ACID
著者Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
登録日2012-02-06
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
4A3C
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RNA Polymerase II initial transcribing complex with a 5nt DNA-RNA hybrid
分子名称: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
著者Cheung, A.C.M, Sainsbury, S, Cramer, P.
登録日2011-09-30
公開日2011-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis of initial RNA polymerase II transcription.
EMBO J., 30, 2011
4A3D
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RNA Polymerase II initial transcribing complex with a 6nt DNA-RNA hybrid
分子名称: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
著者Cheung, A.C.M, Sainsbury, S, Cramer, P.
登録日2011-09-30
公開日2011-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis of initial RNA polymerase II transcription.
EMBO J., 30, 2011
4A3K
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RNA Polymerase II initial transcribing complex with a 7nt DNA-RNA hybrid
分子名称: 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*DTP *TP*TP*CP*CP*BRU*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP)-3', 5'-R(*AP*CP*CP*AP*GP*GP*AP)-3', ...
著者Cheung, A.C.M, Sainsbury, S, Cramer, P.
登録日2011-09-30
公開日2011-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Basis of Initial RNA Polymerase II Transcription.
Embo J., 30, 2011
4A3G
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RNA Polymerase II initial transcribing complex with a 2nt DNA-RNA hybrid
分子名称: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
著者Cheung, A.C.M, Sainsbury, S, Cramer, P.
登録日2011-09-30
公開日2012-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis of initial RNA polymerase II transcription.
EMBO J., 30, 2011
4A4F
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Solution structure of SPF30 Tudor domain in complex with symmetrically dimethylated arginine
分子名称: N3, N4-DIMETHYLARGININE, SURVIVAL OF MOTOR NEURON-RELATED-SPLICING FACTOR 30
著者Tripsianes, K, Madl, T, Machyna, M, Fessas, D, Englbrecht, C, Fischer, U, Neugebauer, K.M, Sattler, M.
登録日2011-10-12
公開日2011-11-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for Dimethyl-Arginine Recognition by the Tudor Domains of Human Smn and Spf30 Proteins
Nat.Struct.Mol.Biol., 18, 2011
4B6F
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Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: (4-phenoxyphenyl)methylazanium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, ...
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-09
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4AMJ
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Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist carvedilol
分子名称: (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, BETA-1 ADRENERGIC RECEPTOR, HEGA-10, ...
著者Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G.
登録日2012-03-12
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
4A7G
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Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
分子名称: 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ...
著者Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S.
登録日2011-11-14
公開日2012-10-24
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献X-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
Curr.Med.Chem., 20, 2013
4A7N
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Structure of bare F-actin filaments obtained from the same sample as the Actin-Tropomyosin-Myosin Complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, F-ACTIN
著者Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S.
登録日2011-11-14
公開日2012-08-01
最終更新日2017-08-30
実験手法ELECTRON MICROSCOPY (8.9 Å)
主引用文献Structure of the Rigor Actin-Tropomyosin-Myosin Complex.
Cell(Cambridge,Mass.), 150, 2012
4AJJ
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rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide
分子名称: 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R.
登録日2012-02-16
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4A3I
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RNA Polymerase II binary complex with DNA
分子名称: 5'-D(*GP*GP*CP*AP*CP*AP*AP*CP*TP*GP*CP*GP*GP*CP*T)-3', DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, ...
著者Cheung, A.C.M, Sainsbury, S, Cramer, P.
登録日2011-09-30
公開日2012-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis of initial RNA polymerase II transcription.
EMBO J., 30, 2011
4A3J
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RNA Polymerase II initial transcribing complex with a 2nt DNA-RNA hybrid and soaked with GMPCPP
分子名称: 5'-D(*AP*GP*CP*TP*AP*GP*CP*TP*TP*TP*CP*BRUP*AP*CP*CP *TP*GP*AP*AP*CP*AP*AP*CP*TP*AP*AP*CP)-3', 5'-D(*GP*TP*AP*GP*AP*AP*AP*GP*CP*TP*AP*GP*CP*TP)-3', 5'-R(*CP*AP)-3', ...
著者Cheung, A.C.M, Sainsbury, S, Cramer, P.
登録日2011-09-30
公開日2011-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural Basis of Initial RNA Polymerase II Transcription.
Embo J., 30, 2011
4A9K
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BROMODOMAIN OF HUMAN CREBBP WITH N-(4-hydroxyphenyl)acetamide
分子名称: 1,2-ETHANEDIOL, CREB-BINDING PROTEIN, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL), ...
著者Chung, C.W, Bamborough, P.
登録日2011-11-26
公開日2012-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
4A92
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Full-length HCV NS3-4A protease-helicase in complex with a macrocyclic protease inhibitor.
分子名称: (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE, SERINE PROTEASE NS3, ZINC ION
著者Schiering, N, D'Arcy, A, Simic, O, Eder, J, Raman, P, Svergun, D.I, Bodendorf, U.
登録日2011-11-23
公開日2011-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献A Macrocyclic Hcv Ns3/4A Protease Inhibitor Interacts with Protease and Helicase Residues in the Complex with its Full- Length Target.
Proc.Natl.Acad.Sci.USA, 108, 2011

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