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3S9W
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Crystal structure of Staphylococcal nuclease variant Delta+PHS M98G bound to Ca2+ and thymidine-5',3'-diphosphate at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Doctrow, B.M, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A.
登録日2011-06-02
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS M98G bound to Ca2+ and thymidine-5',3'-diphosphate at cryogenic temperature
To be Published
3SA6
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BU of 3sa6 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF71
分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
4UZ2
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BU of 4uz2 by Molmil
Crystal structure of the N-terminal LysM domains from the putative NlpC/P60 D,L endopeptidase from T. thermophilus
分子名称: CELL WALL-BINDING ENDOPEPTIDASE-RELATED PROTEIN
著者Wong, J.E.M.M, Blaise, M.
登録日2014-09-04
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An Intermolecular Binding Mechanism Involving Multiple Lysm Domains Mediates Carbohydrate Recognition by an Endopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
4URU
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BU of 4uru by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UQU
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BU of 4uqu by Molmil
Crystal structure of the tetrachloroethene reductive dehalogenase from Sulfurospirillum multivorans
分子名称: BENZAMIDINE, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H.
登録日2014-06-25
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Structural Basis for Organohalide Respiration.
Science, 346, 2014
4UXQ
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BU of 4uxq by Molmil
FGFR4 in complex with Ponatinib
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 4, SULFATE ION
著者Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
登録日2014-08-27
公開日2014-12-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4V3L
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BU of 4v3l by Molmil
RNF38-UB-UbcH5B-Ub complex
分子名称: 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF38, POLYUBIQUITIN-C, ...
著者Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
登録日2014-10-20
公開日2015-04-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin.
Mol.Cell, 58, 2015
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2024-11-27
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
4UVH
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BU of 4uvh by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 10
分子名称: ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ...
著者Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
登録日2014-08-05
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
4V30
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BU of 4v30 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Lenalidomide
分子名称: CEREBLON ISOFORM 4, S-Lenalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
4V31
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Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Deoxyuridine
分子名称: 2'-DEOXYURIDINE, CEREBLON ISOFORM 4, CITRATE ANION, ...
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
3SL6
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BU of 3sl6 by Molmil
Crystal structure of the catalytic domain of PDE4D2 with compound 12c
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Feil, S.F.
登録日2011-06-24
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
4UWJ
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BU of 4uwj by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand
分子名称: 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2014-08-12
公開日2014-12-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
J. Med. Chem., 57, 2014
4UYF
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N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
分子名称: 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Bamborough, P, Gosmini, R.
登録日2014-08-31
公開日2014-10-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
4UZR
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BU of 4uzr by Molmil
Crystal Structure of Pyrococcus horikoshii Ph1500
分子名称: PUTATIVE UNCHARACTERIZED PROTEIN PH1500
著者Hartmann, M.D, Ammelburg, M, Djuranovic, S, Lupas, A.N.
登録日2014-09-08
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.652 Å)
主引用文献Crystal Structure of Pyrococcus Horikoshii Ph1500
To be Published
4V35
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BU of 4v35 by Molmil
The Structure of A-PGS from Pseudomonas aeruginosa
分子名称: ACETATE ION, ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CALCIUM ION, ...
著者Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J.
登録日2014-10-16
公開日2015-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine.
Proc.Natl.Acad.Sci.USA, 112, 2015
4V3X
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Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine
分子名称: 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4UW0
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Low resolution structure of WbdD with C-terminal bundle ordered to residue 505
分子名称: S-ADENOSYLMETHIONINE, WBDD
著者Hagelueken, G, Huang, H, Naismith, J.H.
登録日2014-08-08
公開日2014-08-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.87 Å)
主引用文献A Coiled-Coil Domain Acts as a Molecular Ruler to Regulate O-Antigen Chain Length in Lipopolysaccharide.
Nat.Struct.Mol.Biol., 22, 2015
4UTG
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BU of 4utg by Molmil
Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
登録日2014-07-21
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
4USD
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BU of 4usd by Molmil
Human STK10 (LOK) with SB-633825
分子名称: 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10
著者Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S.
登録日2014-07-07
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
3S25
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Crystal structure of a 7-bladed beta-propeller-like protein (EUBREC_1955) from Eubacterium rectale ATCC 33656 at 1.88 A resolution
分子名称: 1,2-ETHANEDIOL, Hypothetical 7-bladed beta-propeller-like protein
著者Joint Center for Structural Genomics (JCSG)
登録日2011-05-16
公開日2011-06-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of a Hypothetical 7-bladed beta-propeller-like protein (EUBREC_1955, ERE_32420) from Eubacterium rectale at 1.88 A resolution
To be published
4UWI
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Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
分子名称: 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2014-08-12
公開日2014-12-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
J. Med. Chem., 57, 2014
4UVJ
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Cohesin subunit Scc3 from yeast, 674-1072
分子名称: COHESIN SUBUNIT SCC3
著者Roig, M.B, Nasmyth, K, Lowe, J.
登録日2014-08-06
公開日2014-08-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Function of Cohesins Scc3/Sa Regulatory Subunit
FEBS Lett., 588, 2014
3S3A
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Structure of Thermus thermophilus cytochrome ba3 oxidase 120s after Xe depressurization
分子名称: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D.
登録日2011-05-18
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.25 Å)
主引用文献Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase.
Biochemistry, 51, 2012
4V2Z
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Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pomalidomide
分子名称: CEREBLON ISOFORM 4, S-Pomalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014

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